Methyl 2-Cyano-4-fluorobenzoate - CAS 127510-96-7

Name: Methyl 2-Cyano-4-fluorobenzoate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB006810
Product Name:	Methyl 2-Cyano-4-fluorobenzoate
CAS:	127510-96-7
Synonyms:	2-cyano-4-fluorobenzoic acid methyl ester; methyl 2-cyano-4-fluorobenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 2-cyano-4-fluorobenzoate
Description:	Methyl 2-Cyano-4-fluorobenzoate (CAS# 127510-96-7) is a useful research chemical.
Molecular Weight:	179.15
Molecular Formula:	C9H6FNO2
Canonical SMILES:	COC(=O)C1=C(C=C(C=C1)F)C#N
InChI:	InChI=1S/C9H6FNO2/c1-13-9(12)8-3-2-7(10)4-6(8)5-11/h2-4H,1H3
InChI Key:	BCYCPVRVZPDHEC-UHFFFAOYSA-N
Storage:	Sealed in dry, Room Temperature
LogP:	1.48398

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride

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Complexity:	245
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	179.0382566
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	179.0382566
Rotatable Bond Count:	2
Topological Polar Surface Area:	50.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6