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2322-52-3 | Propanamide, 2-bromo-2-methyl-N-(4-nitrophenyl)-
CAS No: 2322-52-3 Catalog No: AG002MKD MDL No:
Product Description
Catalog Number:
AG002MKD
Chemical Name:
Propanamide, 2-bromo-2-methyl-N-(4-nitrophenyl)-
CAS Number:
2322-52-3
Molecular Formula:
C10H11BrN2O3
Molecular Weight:
287.1099
IUPAC Name:
2-bromo-2-methyl-N-(4-nitrophenyl)propanamide
InChI:
InChI=1S/C10H11BrN2O3/c1-10(2,11)9(14)12-7-3-5-8(6-4-7)13(15)16/h3-6H,1-2H3,(H,12,14)
InChI Key:
PMNZZCXVICFFES-UHFFFAOYSA-N
SMILES:
O=C(C(Br)(C)C)Nc1ccc(cc1)[N+](=O)[O-]
NSC Number:
401798
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| 2-Bromo-2-methyl-N-(4-nitro-phen-yl)propanamide. | Acta crystallographica. Section E, Structure reports online 20110301 |
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