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1157464-28-2 | Benzenamine, 2-bromo-4-nitro-N-propyl-
CAS No: 1157464-28-2 Catalog No: AG000GT0 MDL No:MFCD12044150
Product Description
Catalog Number:
AG000GT0
Chemical Name:
Benzenamine, 2-bromo-4-nitro-N-propyl-
CAS Number:
1157464-28-2
Molecular Formula:
C9H11BrN2O2
Molecular Weight:
259.0998
MDL Number:
MFCD12044150
IUPAC Name:
2-bromo-4-nitro-N-propylaniline
InChI:
InChI=1S/C9H11BrN2O2/c1-2-5-11-9-4-3-7(12(13)14)6-8(9)10/h3-4,6,11H,2,5H2,1H3
InChI Key:
OVOUOGKDIXSQDS-UHFFFAOYSA-N
SMILES:
CCCNc1ccc(cc1Br)[N+](=O)[O-]
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.103g/mol
Monoisotopic Mass:
258g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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