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245064-80-6 | 1-(Phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CAS No: 245064-80-6 Catalog No: AG002ODI MDL No:MFCD11616478
Product Description
Catalog Number:
AG002ODI
Chemical Name:
1-(Phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CAS Number:
245064-80-6
Molecular Formula:
C14H10N2O4S
Molecular Weight:
302.3052
MDL Number:
MFCD11616478
IUPAC Name:
1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid
InChI:
InChI=1S/C14H10N2O4S/c17-14(18)12-9-16(13-11(12)7-4-8-15-13)21(19,20)10-5-2-1-3-6-10/h1-9H,(H,17,18)
InChI Key:
RQSVFGBNWQDWIN-UHFFFAOYSA-N
SMILES:
OC(=O)c1cn(c2c1cccn2)S(=O)(=O)c1ccccc1
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.036g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.304g/mol
Monoisotopic Mass:
302.036g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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