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1330632-17-1 | Benzeneacetic acid, 3-fluoro-2-nitro-, methyl ester
CAS No: 1330632-17-1 Catalog No: AG00145K MDL No:MFCD26143077
Product Description
Catalog Number:
AG00145K
Chemical Name:
Benzeneacetic acid, 3-fluoro-2-nitro-, methyl ester
CAS Number:
1330632-17-1
Molecular Formula:
C9H8FNO4
Molecular Weight:
213.1625
MDL Number:
MFCD26143077
IUPAC Name:
methyl 2-(3-fluoro-2-nitrophenyl)acetate
InChI:
InChI=1S/C9H8FNO4/c1-15-8(12)5-6-3-2-4-7(10)9(6)11(13)14/h2-4H,5H2,1H3
InChI Key:
VVQNBUHRWCFXJG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(CC(=O)OC)cccc1F
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.044g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.164g/mol
Monoisotopic Mass:
213.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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