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1373232-53-1 | [1,1'-Biphenyl]-3,3'-dicarboxylic acid, 4-fluoro-5'-nitro-
CAS No: 1373232-53-1 Catalog No: AG00134O MDL No:MFCD22192558
Product Description
Catalog Number:
AG00134O
Chemical Name:
[1,1'-Biphenyl]-3,3'-dicarboxylic acid, 4-fluoro-5'-nitro-
CAS Number:
1373232-53-1
Molecular Formula:
C14H8FNO6
Molecular Weight:
305.2148
MDL Number:
MFCD22192558
IUPAC Name:
5-(3-carboxy-5-nitrophenyl)-2-fluorobenzoic acid
InChI:
InChI=1S/C14H8FNO6/c15-12-2-1-7(6-11(12)14(19)20)8-3-9(13(17)18)5-10(4-8)16(21)22/h1-6H,(H,17,18)(H,19,20)
InChI Key:
CKJZZCYBUBGGBB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1)c1ccc(c(c1)C(=O)O)F)C(=O)O
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.034g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
305.217g/mol
Monoisotopic Mass:
305.034g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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