3-[(4-Chloro-1H-pyrazol-1-yl)methyl]benzoic acid - CAS 676348-40-6

Catalog:	BB044642
Product Name:	3-[(4-Chloro-1H-pyrazol-1-yl)methyl]benzoic acid
CAS:	676348-40-6
Synonyms:	3-(4-Chloro-pyrazol-1-ylmethyl)-benzoic acid; Benzoic acid, 3-(4-chloro-1-pyrazolylmethyl)-

Technical Data

Computed Properties

IUPAC Name:	3-[(4-chloropyrazol-1-yl)methyl]benzoic acid
Description:	3-[(4-Chloro-1H-pyrazol-1-yl)methyl]benzoic acid (CAS# 676348-40-6 ) is a useful research chemical.
Molecular Weight:	236.65
Molecular Formula:	C11H9ClN2O2
Canonical SMILES:	C1=CC(=CC(=C1)C(=O)O)CN2C=C(C=N2)Cl
InChI:	InChI=1S/C11H9ClN2O2/c12-10-5-13-14(7-10)6-8-2-1-3-9(4-8)11(15)16/h1-5,7H,6H2,(H,15,16)
InChI Key:	AOAWWPBKFRBPEP-UHFFFAOYSA-N
Boiling Point:	455.9±35.0 °C (Predicted)
Purity:	98 %
Density:	1.37±0.1 g/cm³ (Predicted)

Related Products

Online Inquiry

Name:

* Phone:

* Service & Products of Interested:

Project Description:

* Quantity:

* Email:

* Verification Code:

Customer Support

If the product you need is not in our catalog, please contact us in time to submit your needs. You can help our website get better and better. Why not submit the request today?

Submit Requirement

Customer Centered

Global Delivery

Warehouses in multiple cities to ensure fast delivery

Quality Assurance

Strict process parameter control to ensure product quality

Large Stock

> 20,000 building blocks and intermediates from stock

Process Scale-up

Process scale-up from lab to industrial scale

Flexible Batch Size

Flexible batch size for diverse industrial demands

Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

Halides

[1820736-42-2]
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[444581-46-8]
1-Bromo-2-(1,1-difluoroethyl)benzene
[4860-03-1]
1-Chlorohexadecane
[199114-62-0]
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one
[1431966-58-3]
2,2-Difluoro-N-(2-morpholin-4-ylethyl)ethanamine dihydrochloride
[1936054-65-7]
2,4-Dichloro-3,6-dimethylquinoline

Pyrazoles

[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1431965-90-0]
1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride

Complexity:	262
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	236.0352552
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	236.0352552
Rotatable Bond Count:	3
Topological Polar Surface Area:	55.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2