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Home > Bromides > 1445993-85-0
1445993-85-0 | 1H-Pyrrolo[2,3-c]pyridine, 4-bromo-7-methoxy-1-[(4-methylphenyl)sulfonyl]-
CAS No: 1445993-85-0 Catalog No: AG001JTD MDL No:MFCD30179615
Product Description
Catalog Number:
AG001JTD
Chemical Name:
1H-Pyrrolo[2,3-c]pyridine, 4-bromo-7-methoxy-1-[(4-methylphenyl)sulfonyl]-
CAS Number:
1445993-85-0
Molecular Formula:
C15H13BrN2O3S
Molecular Weight:
381.2443
MDL Number:
MFCD30179615
IUPAC Name:
4-bromo-7-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine
InChI:
InChI=1S/C15H13BrN2O3S/c1-10-3-5-11(6-4-10)22(19,20)18-8-7-12-13(16)9-17-15(21-2)14(12)18/h3-9H,1-2H3
InChI Key:
JJPYBDZWIWWOEG-UHFFFAOYSA-N
SMILES:
COc1ncc(c2c1n(cc2)S(=O)(=O)c1ccc(cc1)C)Br
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.983g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
381.244g/mol
Monoisotopic Mass:
379.983g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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