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1261903-72-3 | [1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-4'-methoxy-
CAS No: 1261903-72-3 Catalog No: AG000S48 MDL No:MFCD18319527
Product Description
Catalog Number:
AG000S48
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-4'-methoxy-
CAS Number:
1261903-72-3
Molecular Formula:
C14H11ClO3
Molecular Weight:
262.6883
MDL Number:
MFCD18319527
IUPAC Name:
2-chloro-4-(4-methoxyphenyl)benzoic acid
InChI:
InChI=1S/C14H11ClO3/c1-18-11-5-2-9(3-6-11)10-4-7-12(14(16)17)13(15)8-10/h2-8H,1H3,(H,16,17)
InChI Key:
QNPGXMVJFHHOOD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1ccc(c(c1)Cl)C(=O)O
Properties
Complexity:
287
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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