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Home > Bromides > 1190312-91-4
1190312-91-4 | 1H-Pyrrolo[2,3-b]pyridine-5-carbonitrile, 3-bromo-4-methyl-
CAS No: 1190312-91-4 Catalog No: AG000P4C MDL No:
Product Description
Catalog Number:
AG000P4C
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-5-carbonitrile, 3-bromo-4-methyl-
CAS Number:
1190312-91-4
Molecular Formula:
C9H6BrN3
Molecular Weight:
236.0680
IUPAC Name:
3-bromo-4-methyl-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
InChI:
InChI=1S/C9H6BrN3/c1-5-6(2-11)3-12-9-8(5)7(10)4-13-9/h3-4H,1H3,(H,12,13)
InChI Key:
TVRMCXFWGLWFBP-UHFFFAOYSA-N
SMILES:
Cc1c(cnc2c1c(Br)c[nH]2)C#N
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.975g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.072g/mol
Monoisotopic Mass:
234.975g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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