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201731-77-3 | Propanamide, 2-amino-N-(4-nitrophenyl)-, hydrochloride (1:1), (2R)-
CAS No: 201731-77-3 Catalog No: AG0027T1 MDL No:MFCD00080854
Product Description
Catalog Number:
AG0027T1
Chemical Name:
Propanamide, 2-amino-N-(4-nitrophenyl)-, hydrochloride (1:1), (2R)-
CAS Number:
201731-77-3
Molecular Formula:
C9H12ClN3O3
Molecular Weight:
245.6629
MDL Number:
MFCD00080854
IUPAC Name:
(2R)-2-amino-N-(4-nitrophenyl)propanamide;hydrochloride
InChI:
InChI=1S/C9H11N3O3.ClH/c1-6(10)9(13)11-7-2-4-8(5-3-7)12(14)15;/h2-6H,10H2,1H3,(H,11,13);1H/t6-;/m1./s1
InChI Key:
YEXRLSXNWLNHQR-FYZOBXCZSA-N
SMILES:
CC(C(=O)Nc1ccc(cc1)[N+](=O)[O-])N.Cl
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
245.057g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
245.663g/mol
Monoisotopic Mass:
245.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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