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329208-83-5 | 2-Bromo-N-(2-methyl-4-nitro-phenyl)-propionamide
CAS No: 329208-83-5 Catalog No: AG01EUYD MDL No:
Product Description
Catalog Number:
AG01EUYD
Chemical Name:
2-Bromo-N-(2-methyl-4-nitro-phenyl)-propionamide
CAS Number:
329208-83-5
Molecular Formula:
C10H11BrN2O3
Molecular Weight:
287.1099
IUPAC Name:
2-bromo-N-(2-methyl-4-nitrophenyl)propanamide
InChI:
InChI=1S/C10H11BrN2O3/c1-6-5-8(13(15)16)3-4-9(6)12-10(14)7(2)11/h3-5,7H,1-2H3,(H,12,14)
InChI Key:
RXPOHZXDNWKYCL-UHFFFAOYSA-N
SMILES:
O=C(C(Br)C)Nc1ccc(cc1C)[N+](=O)[O-]
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:
2.4
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