Home Halogens Benzeneacetic acid, 4-chloro-3-methoxy-

Benzeneacetic acid, 4-chloro-3-methoxy-

CAS No.:
13726-19-7
Catalog Number:
AG00130N
Molecular Formula:
C9H9ClO3
Molecular Weight:
200.6190
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Product Description
Catalog Number:
AG00130N
Chemical Name:
Benzeneacetic acid, 4-chloro-3-methoxy-
CAS Number:
13726-19-7
Molecular Formula:
C9H9ClO3
Molecular Weight:
200.6190
MDL Number:
MFCD09924912
IUPAC Name:
2-(4-chloro-3-methoxyphenyl)acetic acid
InChI:
InChI=1S/C9H9ClO3/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4H,5H2,1H3,(H,11,12)
InChI Key:
HYHHKCKVSWCDHJ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1Cl)CC(=O)O
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.024g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.618g/mol
Monoisotopic Mass:
200.024g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties