Home Halogens [1,1'-Biphenyl]-3-carboxylic acid, 2'-chloro-5'-methoxy-

[1,1'-Biphenyl]-3-carboxylic acid, 2'-chloro-5'-methoxy-

CAS No.:
1215205-42-7
Catalog Number:
AG00155T
Molecular Formula:
C14H11ClO3
Molecular Weight:
262.6883
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Product Description
Catalog Number:
AG00155T
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 2'-chloro-5'-methoxy-
CAS Number:
1215205-42-7
Molecular Formula:
C14H11ClO3
Molecular Weight:
262.6883
IUPAC Name:
3-(2-chloro-5-methoxyphenyl)benzoic acid
InChI:
InChI=1S/C14H11ClO3/c1-18-11-5-6-13(15)12(8-11)9-3-2-4-10(7-9)14(16)17/h2-8H,1H3,(H,16,17)
InChI Key:
CNLNBYMMKGMIEU-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)c1cccc(c1)C(=O)O)Cl
Properties
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.04g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
262.689g/mol
Monoisotopic Mass:
262.04g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties