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Home > Nitro Compounds > 67320-37-0
67320-37-0 | Proline, 1-[(3-nitrophenyl)sulfonyl]-
CAS No: 67320-37-0 Catalog No: AG00JA8C MDL No:MFCD01055423
Product Description
Catalog Number:
AG00JA8C
Chemical Name:
Proline, 1-[(3-nitrophenyl)sulfonyl]-
CAS Number:
67320-37-0
Molecular Formula:
C11H12N2O6S
Molecular Weight:
300.2878
MDL Number:
MFCD01055423
IUPAC Name:
1-(3-nitrophenyl)sulfonylpyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C11H12N2O6S/c14-11(15)10-5-2-6-12(10)20(18,19)9-4-1-3-8(7-9)13(16)17/h1,3-4,7,10H,2,5-6H2,(H,14,15)
InChI Key:
XEKBNNVVCDSGBZ-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCN1S(=O)(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.042g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.285g/mol
Monoisotopic Mass:
300.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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