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1261998-46-2 | [1,1'-Biphenyl]-3,4'-dicarboxylic acid, 4-chloro-, 3-methyl ester
CAS No: 1261998-46-2 Catalog No: AG000SB7 MDL No:MFCD18312737
Product Description
Catalog Number:
AG000SB7
Chemical Name:
[1,1'-Biphenyl]-3,4'-dicarboxylic acid, 4-chloro-, 3-methyl ester
CAS Number:
1261998-46-2
Molecular Formula:
C15H10ClO4-
Molecular Weight:
289.6905
MDL Number:
MFCD18312737
IUPAC Name:
4-(4-chloro-3-methoxycarbonylphenyl)benzoic acid
InChI:
InChI=1S/C15H11ClO4/c1-20-15(19)12-8-11(6-7-13(12)16)9-2-4-10(5-3-9)14(17)18/h2-8H,1H3,(H,17,18)
InChI Key:
QAXFNLFHPDFVJL-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(ccc1Cl)c1ccc(cc1)C(=O)[O-]
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.035g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.699g/mol
Monoisotopic Mass:
290.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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