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697780-48-6 | 2-Bromo-N-(4-methyl-3-nitro-phenyl)-propionamide
CAS No: 697780-48-6 Catalog No: AG01EX0D MDL No:
Product Description
Catalog Number:
AG01EX0D
Chemical Name:
2-Bromo-N-(4-methyl-3-nitro-phenyl)-propionamide
CAS Number:
697780-48-6
Molecular Formula:
C10H11BrN2O3
Molecular Weight:
287.1099
IUPAC Name:
2-bromo-N-(4-methyl-3-nitrophenyl)propanamide
InChI:
InChI=1S/C10H11BrN2O3/c1-6-3-4-8(5-9(6)13(15)16)12-10(14)7(2)11/h3-5,7H,1-2H3,(H,12,14)
InChI Key:
AKLIPVZSVUDVBZ-UHFFFAOYSA-N
SMILES:
O=C(C(Br)C)Nc1ccc(c(c1)[N+](=O)[O-])C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.995g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.113g/mol
Monoisotopic Mass:
285.995g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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