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1043554-68-2 | 4-(PIPERAZIN-1-YLSULFONYL)BENZOIC ACID HYDROCHLORIDE
CAS No: 1043554-68-2 Catalog No: AG008TPV MDL No:MFCD07687254
Product Description
Catalog Number:
AG008TPV
Chemical Name:
4-(PIPERAZIN-1-YLSULFONYL)BENZOIC ACID HYDROCHLORIDE
CAS Number:
1043554-68-2
Molecular Formula:
C11H15ClN2O4S
Molecular Weight:
306.7658
MDL Number:
MFCD07687254
IUPAC Name:
4-piperazin-1-ylsulfonylbenzoic acid;hydrochloride
InChI:
InChI=1S/C11H14N2O4S.ClH/c14-11(15)9-1-3-10(4-2-9)18(16,17)13-7-5-12-6-8-13;/h1-4,12H,5-8H2,(H,14,15);1H
InChI Key:
CKGUTIJGGJTLRW-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)S(=O)(=O)N1CCNCC1.Cl
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.044g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
306.761g/mol
Monoisotopic Mass:
306.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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