Name: Name:Benzoic acid, 4-chloro-3-cyano-, methyl ester
Brand: Angene
SKU: AG0022SJ
Rating: 90 (10 reviews)

Benzoic acid, 4-chloro-3-cyano-, methyl ester

CAS No.:

181282-80-4

Catalog Number:

AG0022SJ

Molecular Formula:

C9H6ClNO2

Molecular Weight:

195.6024

Catalog Number:

AG0022SJ

Chemical Name:

Benzoic acid, 4-chloro-3-cyano-, methyl ester

CAS Number:

181282-80-4

Molecular Formula:

C9H6ClNO2

Molecular Weight:

195.6024

MDL Number:

MFCD18398898

IUPAC Name:

methyl 4-chloro-3-cyanobenzoate

InChI:

InChI=1S/C9H6ClNO2/c1-13-9(12)6-2-3-8(10)7(4-6)5-11/h2-4H,1H3

InChI Key:

RYYMSFBYYAYGOX-UHFFFAOYSA-N

SMILES:

COC(=O)c1ccc(c(c1)C#N)Cl

Complexity:

245

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

195.009g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

195.602g/mol

Monoisotopic Mass:

195.009g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

50.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1