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1261898-31-0 | [1,1'-Biphenyl]-3,3'-dicarboxylic acid, 5-fluoro-5'-nitro-
CAS No: 1261898-31-0 Catalog No: AG000S4P MDL No:MFCD18321487
Product Description
Catalog Number:
AG000S4P
Chemical Name:
[1,1'-Biphenyl]-3,3'-dicarboxylic acid, 5-fluoro-5'-nitro-
CAS Number:
1261898-31-0
Molecular Formula:
C14H8FNO6
Molecular Weight:
305.2148
MDL Number:
MFCD18321487
IUPAC Name:
3-(3-carboxy-5-fluorophenyl)-5-nitrobenzoic acid
InChI:
InChI=1S/C14H8FNO6/c15-11-3-7(1-9(4-11)13(17)18)8-2-10(14(19)20)6-12(5-8)16(21)22/h1-6H,(H,17,18)(H,19,20)
InChI Key:
QUQDVFDWNGGIOY-UHFFFAOYSA-N
SMILES:
Fc1cc(cc(c1)c1cc(cc(c1)[N+](=O)[O-])C(=O)O)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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