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1305322-90-0 | Benzenamine, 4-bromo-N-(1,1-dimethylethyl)-2-nitro-5-propoxy-
CAS No: 1305322-90-0 Catalog No: AG000UKV MDL No:MFCD18914493
Product Description
Catalog Number:
AG000UKV
Chemical Name:
Benzenamine, 4-bromo-N-(1,1-dimethylethyl)-2-nitro-5-propoxy-
CAS Number:
1305322-90-0
Molecular Formula:
C13H19BrN2O3
Molecular Weight:
331.2056
MDL Number:
MFCD18914493
IUPAC Name:
4-bromo-N-tert-butyl-2-nitro-5-propoxyaniline
InChI:
InChI=1S/C13H19BrN2O3/c1-5-6-19-12-8-10(15-13(2,3)4)11(16(17)18)7-9(12)14/h7-8,15H,5-6H2,1-4H3
InChI Key:
IGJKOHOAQWXYTN-UHFFFAOYSA-N
SMILES:
CCCOc1cc(NC(C)(C)C)c(cc1Br)[N+](=O)[O-]
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.058g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.21g/mol
Monoisotopic Mass:
330.058g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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