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1285573-82-1 | Benzoic acid, 3-chloro-5-cyano-4-hydroxy-, methyl ester
CAS No: 1285573-82-1 Catalog No: AG000Y6J MDL No:
Product Description
Catalog Number:
AG000Y6J
Chemical Name:
Benzoic acid, 3-chloro-5-cyano-4-hydroxy-, methyl ester
CAS Number:
1285573-82-1
Molecular Formula:
C9H6ClNO3
Molecular Weight:
211.6018
IUPAC Name:
methyl 3-chloro-5-cyano-4-hydroxybenzoate
InChI:
InChI=1S/C9H6ClNO3/c1-14-9(13)5-2-6(4-11)8(12)7(10)3-5/h2-3,12H,1H3
InChI Key:
GQPXYNMBPLSNQT-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)c(c(c1)C#N)O
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.004g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.601g/mol
Monoisotopic Mass:
211.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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