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324044-75-9 | 4-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)benzoic acid
CAS No: 324044-75-9 Catalog No: AG019GJN MDL No:MFCD01166108
Product Description
Catalog Number:
AG019GJN
Chemical Name:
4-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)benzoic acid
CAS Number:
324044-75-9
Molecular Formula:
C16H15NO4S
Molecular Weight:
317.3596
MDL Number:
MFCD01166108
IUPAC Name:
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoic acid
InChI:
InChI=1S/C16H15NO4S/c18-16(19)13-7-9-14(10-8-13)22(20,21)17-11-3-5-12-4-1-2-6-15(12)17/h1-2,4,6-10H,3,5,11H2,(H,18,19)
InChI Key:
FSXJLTAHMZIFKA-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)S(=O)(=O)N1CCCc2c1cccc2
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.072g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.359g/mol
Monoisotopic Mass:
317.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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