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1314985-42-6 | Benzenamine, N-(1,1-dimethylethyl)-2,3-difluoro-6-nitro-
CAS No: 1314985-42-6 Catalog No: AG000WC7 MDL No:MFCD19684089
Product Description
Catalog Number:
AG000WC7
Chemical Name:
Benzenamine, N-(1,1-dimethylethyl)-2,3-difluoro-6-nitro-
CAS Number:
1314985-42-6
Molecular Formula:
C10H12F2N2O2
Molecular Weight:
230.2113
MDL Number:
MFCD19684089
IUPAC Name:
N-tert-butyl-2,3-difluoro-6-nitroaniline
InChI:
InChI=1S/C10H12F2N2O2/c1-10(2,3)13-9-7(14(15)16)5-4-6(11)8(9)12/h4-5,13H,1-3H3
InChI Key:
QWJMAEKNTLZLCT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1NC(C)(C)C)F)F
Properties
Complexity:
263
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:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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