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13738-74-4 | Benzenesulfonamide, N-[(butylamino)carbonyl]-4-nitro-
CAS No: 13738-74-4 Catalog No: AG00138F MDL No:
Product Description
Catalog Number:
AG00138F
Chemical Name:
Benzenesulfonamide, N-[(butylamino)carbonyl]-4-nitro-
CAS Number:
13738-74-4
Molecular Formula:
C11H15N3O5S
Molecular Weight:
301.3189
IUPAC Name:
1-butyl-3-(4-nitrophenyl)sulfonylurea
InChI:
InChI=1S/C11H15N3O5S/c1-2-3-8-12-11(15)13-20(18,19)10-6-4-9(5-7-10)14(16)17/h4-7H,2-3,8H2,1H3,(H2,12,13,15)
InChI Key:
MGPSBPIAKKOJQX-UHFFFAOYSA-N
SMILES:
CCCCNC(=O)NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.073g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
301.317g/mol
Monoisotopic Mass:
301.073g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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