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1365272-99-6 | Benzenamine, 4-bromo-N-cyclohexyl-2,3-difluoro-6-nitro-
CAS No: 1365272-99-6 Catalog No: AG00121I MDL No:MFCD21609498
Product Description
Catalog Number:
AG00121I
Chemical Name:
Benzenamine, 4-bromo-N-cyclohexyl-2,3-difluoro-6-nitro-
CAS Number:
1365272-99-6
Molecular Formula:
C12H13BrF2N2O2
Molecular Weight:
335.1446
MDL Number:
MFCD21609498
IUPAC Name:
4-bromo-N-cyclohexyl-2,3-difluoro-6-nitroaniline
InChI:
InChI=1S/C12H13BrF2N2O2/c13-8-6-9(17(18)19)12(11(15)10(8)14)16-7-4-2-1-3-5-7/h6-7,16H,1-5H2
InChI Key:
IOWVSUZCYPHGOP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(Br)c(c(c1NC1CCCCC1)F)F
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.013g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.149g/mol
Monoisotopic Mass:
334.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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