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1280786-72-2 | [1,1'-Biphenyl]-3-carboxylic acid, 4'-fluoro-3'-nitro-
CAS No: 1280786-72-2 Catalog No: AG000XRQ MDL No:MFCD18783157
Product Description
Catalog Number:
AG000XRQ
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 4'-fluoro-3'-nitro-
CAS Number:
1280786-72-2
Molecular Formula:
C13H8FNO4
Molecular Weight:
261.2053
MDL Number:
MFCD18783157
IUPAC Name:
3-(4-fluoro-3-nitrophenyl)benzoic acid
InChI:
InChI=1S/C13H8FNO4/c14-11-5-4-9(7-12(11)15(18)19)8-2-1-3-10(6-8)13(16)17/h1-7H,(H,16,17)
InChI Key:
TXSMMXNGTYCZST-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)c1ccc(c(c1)[N+](=O)[O-])F
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.044g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.208g/mol
Monoisotopic Mass:
261.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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