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1237071-49-6

1237071-49-6 | [1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-3'-methoxy-

CAS No: 1237071-49-6 Catalog No: AG000KZJ MDL No:MFCD18319507

Product Description

Catalog Number:
AG000KZJ
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-3'-methoxy-
CAS Number:
1237071-49-6
Molecular Formula:
C14H11ClO3
Molecular Weight:
262.6883
MDL Number:
MFCD18319507
IUPAC Name:
2-chloro-4-(3-methoxyphenyl)benzoic acid
InChI:
InChI=1S/C14H11ClO3/c1-18-11-4-2-3-9(7-11)10-5-6-12(14(16)17)13(15)8-10/h2-8H,1H3,(H,16,17)
InChI Key:
SWRZETFUQIUCRC-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1ccc(c(c1)Cl)C(=O)O

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:
3.7  

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