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1365272-85-0

1365272-85-0 | Benzenamine, 4-bromo-N-(1-methylethyl)-2-nitro-5-propoxy-

CAS No: 1365272-85-0 Catalog No: AG00120R MDL No:MFCD21609493

Product Description

Catalog Number:
AG00120R
Chemical Name:
Benzenamine, 4-bromo-N-(1-methylethyl)-2-nitro-5-propoxy-
CAS Number:
1365272-85-0
Molecular Formula:
C12H17BrN2O3
Molecular Weight:
317.1790
MDL Number:
MFCD21609493
IUPAC Name:
4-bromo-2-nitro-N-propan-2-yl-5-propoxyaniline
InChI:
InChI=1S/C12H17BrN2O3/c1-4-5-18-12-7-10(14-8(2)3)11(15(16)17)6-9(12)13/h6-8,14H,4-5H2,1-3H3
InChI Key:
PSQQUKLSHXGSGN-UHFFFAOYSA-N
SMILES:
CCCOc1cc(NC(C)C)c(cc1Br)[N+](=O)[O-]

Properties

Complexity:
271  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.042g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
317.183g/mol
Monoisotopic Mass:
316.042g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  

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