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163395-24-2 | Benzeneacetic acid, 3-fluoro-4-nitro-
CAS No: 163395-24-2 Catalog No: AG001U2R MDL No:MFCD03094239
Product Description
Catalog Number:
AG001U2R
Chemical Name:
Benzeneacetic acid, 3-fluoro-4-nitro-
CAS Number:
163395-24-2
Molecular Formula:
C8H6FNO4
Molecular Weight:
199.1359
MDL Number:
MFCD03094239
IUPAC Name:
2-(3-fluoro-4-nitrophenyl)acetic acid
InChI:
InChI=1S/C8H6FNO4/c9-6-3-5(4-8(11)12)1-2-7(6)10(13)14/h1-3H,4H2,(H,11,12)
InChI Key:
BRWLAOKLDCMHIC-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(c(c1)F)[N+](=O)[O-]
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.028g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.137g/mol
Monoisotopic Mass:
199.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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