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1215613-85-6 | 2-(piperazine-1-sulfonyl)benzoic acid
CAS No: 1215613-85-6 Catalog No: AG00Z9TD MDL No:MFCD12026349
Product Description
Catalog Number:
AG00Z9TD
Chemical Name:
2-(piperazine-1-sulfonyl)benzoic acid
CAS Number:
1215613-85-6
Molecular Formula:
C11H14N2O4S
Molecular Weight:
270.3049
MDL Number:
MFCD12026349
IUPAC Name:
2-piperazin-1-ylsulfonylbenzoic acid
InChI:
InChI=1S/C11H14N2O4S/c14-11(15)9-3-1-2-4-10(9)18(16,17)13-7-5-12-6-8-13/h1-4,12H,5-8H2,(H,14,15)
InChI Key:
CHTBWKZGYHGAFP-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1S(=O)(=O)N1CCNCC1
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.303g/mol
Monoisotopic Mass:
270.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
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