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1396554-46-3 | Benzenamine, 3-bromo-N-cyclopropyl-2-nitro-
CAS No: 1396554-46-3 Catalog No: AG001BG2 MDL No:MFCD22415284
Product Description
Catalog Number:
AG001BG2
Chemical Name:
Benzenamine, 3-bromo-N-cyclopropyl-2-nitro-
CAS Number:
1396554-46-3
Molecular Formula:
C9H9BrN2O2
Molecular Weight:
257.0840
MDL Number:
MFCD22415284
IUPAC Name:
3-bromo-N-cyclopropyl-2-nitroaniline
InChI:
InChI=1S/C9H9BrN2O2/c10-7-2-1-3-8(9(7)12(13)14)11-6-4-5-6/h1-3,6,11H,4-5H2
InChI Key:
IHVDMCLNJSTNHO-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1[N+](=O)[O-])NC1CC1
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.985g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.087g/mol
Monoisotopic Mass:
255.985g/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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