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1330750-43-0 | Benzenamine, 4-bromo-5-methoxy-N-(1-methylethyl)-2-nitro-
CAS No: 1330750-43-0 Catalog No: AG00146A MDL No:MFCD19981502
Product Description
Catalog Number:
AG00146A
Chemical Name:
Benzenamine, 4-bromo-5-methoxy-N-(1-methylethyl)-2-nitro-
CAS Number:
1330750-43-0
Molecular Formula:
C10H13BrN2O3
Molecular Weight:
289.1258
MDL Number:
MFCD19981502
IUPAC Name:
4-bromo-5-methoxy-2-nitro-N-propan-2-ylaniline
InChI:
InChI=1S/C10H13BrN2O3/c1-6(2)12-8-5-10(16-3)7(11)4-9(8)13(14)15/h4-6,12H,1-3H3
InChI Key:
QRYSUFDDFZNLLO-UHFFFAOYSA-N
SMILES:
COc1cc(NC(C)C)c(cc1Br)[N+](=O)[O-]
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.011g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.129g/mol
Monoisotopic Mass:
288.011g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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