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299897-90-8 | 2-nitro-5-(pyrrolidin-1-yl)benzamide
CAS No: 299897-90-8 Catalog No: AG00IRH6 MDL No:MFCD03791248
Product Description
Catalog Number:
AG00IRH6
Chemical Name:
2-nitro-5-(pyrrolidin-1-yl)benzamide
CAS Number:
299897-90-8
Molecular Formula:
C11H13N3O3
Molecular Weight:
235.2392
MDL Number:
MFCD03791248
IUPAC Name:
2-nitro-5-pyrrolidin-1-ylbenzamide
InChI:
InChI=1S/C11H13N3O3/c12-11(15)9-7-8(13-5-1-2-6-13)3-4-10(9)14(16)17/h3-4,7H,1-2,5-6H2,(H2,12,15)
InChI Key:
AAZGZPUPRNPHNJ-UHFFFAOYSA-N
SMILES:
NC(=O)c1cc(ccc1[N+](=O)[O-])N1CCCC1
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.096g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.243g/mol
Monoisotopic Mass:
235.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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