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Home > Fluorides > 1214353-57-7
1214353-57-7 | Benzoic acid, 3-fluoro-2-nitro-, methyl ester
CAS No: 1214353-57-7 Catalog No: AG0014W0 MDL No:MFCD11520393
Product Description
Catalog Number:
AG0014W0
Chemical Name:
Benzoic acid, 3-fluoro-2-nitro-, methyl ester
CAS Number:
1214353-57-7
Molecular Formula:
C8H6FNO4
Molecular Weight:
199.1359
MDL Number:
MFCD11520393
IUPAC Name:
methyl 3-fluoro-2-nitrobenzoate
InChI:
InChI=1S/C8H6FNO4/c1-14-8(11)5-3-2-4-6(9)7(5)10(12)13/h2-4H,1H3
InChI Key:
CAEZBCWSCZBLRF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(cccc1F)C(=O)OC
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:
0
Isotope Atom Count:
0
Molecular Weight:
199.137g/mol
Monoisotopic Mass:
199.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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