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Home > Fluorides > 1146290-07-4
1146290-07-4 | Benzonitrile, 3-fluoro-4-methyl-5-nitro-
CAS No: 1146290-07-4 Catalog No: AG000EVP MDL No:MFCD11857990
Product Description
Catalog Number:
AG000EVP
Chemical Name:
Benzonitrile, 3-fluoro-4-methyl-5-nitro-
CAS Number:
1146290-07-4
Molecular Formula:
C8H5FN2O2
Molecular Weight:
180.1359
MDL Number:
MFCD11857990
IUPAC Name:
3-fluoro-4-methyl-5-nitrobenzonitrile
InChI:
InChI=1S/C8H5FN2O2/c1-5-7(9)2-6(4-10)3-8(5)11(12)13/h2-3H,1H3
InChI Key:
PJDMVVSHLAHHEG-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)c(c(c1)[N+](=O)[O-])C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.034g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.138g/mol
Monoisotopic Mass:
180.034g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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