Home Sulfos N-(4-amino-3-nitrophenyl)methanesulfonamide

N-(4-amino-3-nitrophenyl)methanesulfonamide

CAS No.:
76345-45-4
Catalog Number:
AG01EJCJ
Molecular Formula:
C7H9N3O4S
Molecular Weight:
231.2291
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Product Description
Catalog Number:
AG01EJCJ
Chemical Name:
N-(4-amino-3-nitrophenyl)methanesulfonamide
CAS Number:
76345-45-4
Molecular Formula:
C7H9N3O4S
Molecular Weight:
231.2291
MDL Number:
MFCD10566865
IUPAC Name:
N-(4-amino-3-nitrophenyl)methanesulfonamide
InChI:
InChI=1S/C7H9N3O4S/c1-15(13,14)9-5-2-3-6(8)7(4-5)10(11)12/h2-4,9H,8H2,1H3
InChI Key:
COFHKEDMRYSCBR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1N)NS(=O)(=O)C
Properties
Complexity:
331  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.031g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
231.226g/mol
Monoisotopic Mass:
231.031g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties