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1311197-83-7 | Benzenamine, 4-bromo-2-nitro-5-propoxy-N-propyl-
CAS No: 1311197-83-7 Catalog No: AG000VK0 MDL No:MFCD19237157
Product Description
Catalog Number:
AG000VK0
Chemical Name:
Benzenamine, 4-bromo-2-nitro-5-propoxy-N-propyl-
CAS Number:
1311197-83-7
Molecular Formula:
C12H17BrN2O3
Molecular Weight:
317.1790
MDL Number:
MFCD19237157
IUPAC Name:
4-bromo-2-nitro-5-propoxy-N-propylaniline
InChI:
InChI=1S/C12H17BrN2O3/c1-3-5-14-10-8-12(18-6-4-2)9(13)7-11(10)15(16)17/h7-8,14H,3-6H2,1-2H3
InChI Key:
NOBNVOVIEYJIJT-UHFFFAOYSA-N
SMILES:
CCCNc1cc(OCCC)c(cc1[N+](=O)[O-])Br
Properties
Complexity:
260
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:
6
Topological Polar Surface Area:
67.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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