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1279863-30-7 | 1-(4-methylbenzenesulfonyl)-1H-pyrrolo[3,2-c]pyridine
CAS No: 1279863-30-7 Catalog No: AG00VXG2 MDL No:
Product Description
Catalog Number:
AG00VXG2
Chemical Name:
1-(4-methylbenzenesulfonyl)-1H-pyrrolo[3,2-c]pyridine
CAS Number:
1279863-30-7
Molecular Formula:
C14H12N2O2S
Molecular Weight:
272.3223
IUPAC Name:
1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine
InChI:
InChI=1S/C14H12N2O2S/c1-11-2-4-13(5-3-11)19(17,18)16-9-7-12-10-15-8-6-14(12)16/h2-10H,1H3
InChI Key:
ZYXIJYRIINMOLX-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1ccc2c1ccnc2
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.322g/mol
Monoisotopic Mass:
272.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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