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1261891-38-6 | [1,1'-Biphenyl]-4,4'-dicarboxylic acid, 3-chloro-
CAS No: 1261891-38-6 Catalog No: AG000S2Z MDL No:MFCD18320286
Product Description
Catalog Number:
AG000S2Z
Chemical Name:
[1,1'-Biphenyl]-4,4'-dicarboxylic acid, 3-chloro-
CAS Number:
1261891-38-6
Molecular Formula:
C14H9ClO4
Molecular Weight:
276.6719
MDL Number:
MFCD18320286
IUPAC Name:
4-(4-carboxyphenyl)-2-chlorobenzoic acid
InChI:
InChI=1S/C14H9ClO4/c15-12-7-10(5-6-11(12)14(18)19)8-1-3-9(4-2-8)13(16)17/h1-7H,(H,16,17)(H,18,19)
InChI Key:
MWFXNBAZNDZYPK-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1ccc(c(c1)Cl)C(=O)O
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.019g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.672g/mol
Monoisotopic Mass:
276.019g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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