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1238634-51-9

1238634-51-9 | [1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-2'-methyl-

CAS No: 1238634-51-9 Catalog No: AG000L69 MDL No:MFCD18318920

Product Description

Catalog Number:
AG000L69
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-2'-methyl-
CAS Number:
1238634-51-9
Molecular Formula:
C14H11ClO2
Molecular Weight:
246.6889
MDL Number:
MFCD18318920
IUPAC Name:
2-chloro-4-(2-methylphenyl)benzoic acid
InChI:
InChI=1S/C14H11ClO2/c1-9-4-2-3-5-11(9)10-6-7-12(14(16)17)13(15)8-10/h2-8H,1H3,(H,16,17)
InChI Key:
GULHBLXAMZMSBB-UHFFFAOYSA-N
SMILES:
Cc1ccccc1c1ccc(c(c1)Cl)C(=O)O

Properties

Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.045g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.69g/mol
Monoisotopic Mass:
246.045g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

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