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331256-60-1

331256-60-1 | 3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride

CAS No: 331256-60-1 Catalog No: AG00JCSX MDL No:MFCD00432157

Product Description

Catalog Number:
AG00JCSX
Chemical Name:
3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride
CAS Number:
331256-60-1
Molecular Formula:
C10H9ClN2O5S
Molecular Weight:
304.7069
MDL Number:
MFCD00432157
IUPAC Name:
3-nitro-4-(2-oxopyrrolidin-1-yl)benzenesulfonyl chloride
InChI:
InChI=1S/C10H9ClN2O5S/c11-19(17,18)7-3-4-8(9(6-7)13(15)16)12-5-1-2-10(12)14/h3-4,6H,1-2,5H2
InChI Key:
PRVWEOHSVNSRHJ-UHFFFAOYSA-N
SMILES:
O=C1CCCN1c1ccc(cc1[N+](=O)[O-])S(=O)(=O)Cl

Properties

Complexity:
483  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.992g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.701g/mol
Monoisotopic Mass:
303.992g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

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