Home Nitros 2-methyl-4-nitro-N-(pyrrolidin-3-yl)benzamide hydrochloride

2-methyl-4-nitro-N-(pyrrolidin-3-yl)benzamide hydrochloride

CAS No.:
1423033-67-3
Catalog Number:
AG01A2MM
Molecular Formula:
C12H16ClN3O3
Molecular Weight:
285.7267
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Product Description
Catalog Number:
AG01A2MM
Chemical Name:
2-methyl-4-nitro-N-(pyrrolidin-3-yl)benzamide hydrochloride
CAS Number:
1423033-67-3
Molecular Formula:
C12H16ClN3O3
Molecular Weight:
285.7267
MDL Number:
MFCD22578656
IUPAC Name:
2-methyl-4-nitro-N-pyrrolidin-3-ylbenzamide;hydrochloride
InChI:
InChI=1S/C12H15N3O3.ClH/c1-8-6-10(15(17)18)2-3-11(8)12(16)14-9-4-5-13-7-9;/h2-3,6,9,13H,4-5,7H2,1H3,(H,14,16);1H
InChI Key:
MPTYEXDLSKAWQQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1C)[N+](=O)[O-])NC1CNCC1.Cl
Properties
Complexity:
329  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.088g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
285.728g/mol
Monoisotopic Mass:
285.088g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties