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1250973-55-7 | Benzenamine, 2-bromo-N-cyclopropyl-4-nitro-
CAS No: 1250973-55-7 Catalog No: AG000N5A MDL No:MFCD16085276
Product Description
Catalog Number:
AG000N5A
Chemical Name:
Benzenamine, 2-bromo-N-cyclopropyl-4-nitro-
CAS Number:
1250973-55-7
Molecular Formula:
C9H9BrN2O2
Molecular Weight:
257.0840
MDL Number:
MFCD16085276
IUPAC Name:
2-bromo-N-cyclopropyl-4-nitroaniline
InChI:
InChI=1S/C9H9BrN2O2/c10-8-5-7(12(13)14)3-4-9(8)11-6-1-2-6/h3-6,11H,1-2H2
InChI Key:
MSCGRVSODPHUAF-UHFFFAOYSA-N
SMILES:
Brc1cc(ccc1NC1CC1)[N+](=O)[O-]
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
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