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Home > Bromides > 1260386-78-4
1260386-78-4 | 1H-Pyrrolo[3,2-b]pyridine-3-carbonitrile, 6-bromo-
CAS No: 1260386-78-4 Catalog No: AG000QTF MDL No:MFCD18380893
Product Description
Catalog Number:
AG000QTF
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-3-carbonitrile, 6-bromo-
CAS Number:
1260386-78-4
Molecular Formula:
C8H4BrN3
Molecular Weight:
222.0415
MDL Number:
MFCD18380893
IUPAC Name:
6-bromo-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile
InChI:
InChI=1S/C8H4BrN3/c9-6-1-7-8(12-4-6)5(2-10)3-11-7/h1,3-4,11H
InChI Key:
JEYQHZPJMRWDGZ-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]c2c1ncc(c2)Br
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.959g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.045g/mol
Monoisotopic Mass:
220.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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