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1249896-03-4 | Benzenamine, N-butyl-2,3-difluoro-6-nitro-
CAS No: 1249896-03-4 Catalog No: AG000MY7 MDL No:MFCD16787132
Product Description
Catalog Number:
AG000MY7
Chemical Name:
Benzenamine, N-butyl-2,3-difluoro-6-nitro-
CAS Number:
1249896-03-4
Molecular Formula:
C10H12F2N2O2
Molecular Weight:
230.2113
MDL Number:
MFCD16787132
IUPAC Name:
N-butyl-2,3-difluoro-6-nitroaniline
InChI:
InChI=1S/C10H12F2N2O2/c1-2-3-6-13-10-8(14(15)16)5-4-7(11)9(10)12/h4-5,13H,2-3,6H2,1H3
InChI Key:
FJWJZNBNYYMEQK-UHFFFAOYSA-N
SMILES:
CCCCNc1c(ccc(c1F)F)[N+](=O)[O-]
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.087g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.215g/mol
Monoisotopic Mass:
230.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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