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1372929-27-5

1372929-27-5 | 1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 5-bromo-1-(1,1-dimethylethyl)-

CAS No: 1372929-27-5 Catalog No: AG00132A MDL No:

Product Description

Catalog Number:
AG00132A
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 5-bromo-1-(1,1-dimethylethyl)-
CAS Number:
1372929-27-5
Molecular Formula:
C12H12BrN3
Molecular Weight:
278.1478
IUPAC Name:
5-bromo-1-tert-butylpyrrolo[2,3-b]pyridine-3-carbonitrile
InChI:
InChI=1S/C12H12BrN3/c1-12(2,3)16-7-8(5-14)10-4-9(13)6-15-11(10)16/h4,6-7H,1-3H3
InChI Key:
TXNHEKSROUEGDM-UHFFFAOYSA-N
SMILES:
N#Cc1cn(c2c1cc(Br)cn2)C(C)(C)C

Properties

Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.021g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.153g/mol
Monoisotopic Mass:
277.021g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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