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1261967-46-7 | [1,1'-Biphenyl]-3-carboxylic acid, 4'-fluoro-3'-methoxy-5-nitro-
CAS No: 1261967-46-7 Catalog No: AG000S96 MDL No:MFCD18320685
Product Description
Catalog Number:
AG000S96
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 4'-fluoro-3'-methoxy-5-nitro-
CAS Number:
1261967-46-7
Molecular Formula:
C14H10FNO5
Molecular Weight:
291.2313
MDL Number:
MFCD18320685
IUPAC Name:
3-(4-fluoro-3-methoxyphenyl)-5-nitrobenzoic acid
InChI:
InChI=1S/C14H10FNO5/c1-21-13-7-8(2-3-12(13)15)9-4-10(14(17)18)6-11(5-9)16(19)20/h2-7H,1H3,(H,17,18)
InChI Key:
QNJMGNGTZUHAKC-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1F)c1cc(cc(c1)C(=O)O)[N+](=O)[O-]
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.054g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.234g/mol
Monoisotopic Mass:
291.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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