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1027356-55-3 | Benzenamine, 2-bromo-4-(1,1-dimethylethyl)-6-nitro-
CAS No: 1027356-55-3 Catalog No: AG00088L MDL No:MFCD11845936
Product Description
Catalog Number:
AG00088L
Chemical Name:
Benzenamine, 2-bromo-4-(1,1-dimethylethyl)-6-nitro-
CAS Number:
1027356-55-3
Molecular Formula:
C10H13BrN2O2
Molecular Weight:
273.1264
MDL Number:
MFCD11845936
IUPAC Name:
2-bromo-4-tert-butyl-6-nitroaniline
InChI:
InChI=1S/C10H13BrN2O2/c1-10(2,3)6-4-7(11)9(12)8(5-6)13(14)15/h4-5H,12H2,1-3H3
InChI Key:
HLULCDGWDGAVKY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1N)Br)C(C)(C)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.016g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.13g/mol
Monoisotopic Mass:
272.016g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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