4-[(4-Chloro-1H-pyrazol-1-yl)methoxy]benzoic acid - CAS 1006474-24-3

Catalog:	BB046311
Product Name:	4-[(4-Chloro-1H-pyrazol-1-yl)methoxy]benzoic acid
CAS:	1006474-24-3
Synonyms:	4-((4-Chloro-1H-pyrazol-1-yl)methoxy)benzoic acid; 4-[(4-chloropyrazolyl)methoxy]benzoic acid

Technical Data

Computed Properties

IUPAC Name:	4-[(4-chloropyrazol-1-yl)methoxy]benzoic acid
Description:	4-[(4-Chloro-1H-pyrazol-1-yl)methoxy]benzoic acid (CAS# 1006474-24-3 ) is a useful research chemical.
Molecular Weight:	252.65
Molecular Formula:	C11H9ClN2O3
Canonical SMILES:	C1=CC(=CC=C1C(=O)O)OCN2C=C(C=N2)Cl
InChI:	InChI=1S/C11H9ClN2O3/c12-9-5-13-14(6-9)7-17-10-3-1-8(2-4-10)11(15)16/h1-6H,7H2,(H,15,16)
InChI Key:	FDHDACXIEOMITO-UHFFFAOYSA-N
Boiling Point:	455.2±30.0 °C (Predicted)
Density:	1.41±0.1 g/cm³ (Predicted)

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Related Functional Groups

Carbonyl Compounds

[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
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

Halides

[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[4860-03-1]
1-Chlorohexadecane
[111-85-3]
1-Chlorooctane

Oxygen Compounds

[5896-75-3]
(Z)-N-(4-Phenylpiperazin-1-yl)-1-(2,3,4-trimethoxyphenyl)methanimine
[1263034-11-2]
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine

Pyrazoles

[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1250876-38-0]
1-Cyclopentyl-1H-pyrazole-3,5-diamine
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1431965-90-0]
1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

Complexity:	269
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	252.0301698
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	252.0301698
Rotatable Bond Count:	4
Topological Polar Surface Area:	64.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1