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1000343-87-2 | 1H-Pyrrolo[2,3-b]pyridin-3-amine, 5-bromo-6-methyl-
CAS No: 1000343-87-2 Catalog No: AG0000M7 MDL No:
Product Description
Catalog Number:
AG0000M7
Chemical Name:
1H-Pyrrolo[2,3-b]pyridin-3-amine, 5-bromo-6-methyl-
CAS Number:
1000343-87-2
Molecular Formula:
C8H8BrN3
Molecular Weight:
226.0732
IUPAC Name:
5-bromo-6-methyl-1H-pyrrolo[2,3-b]pyridin-3-amine
InChI:
InChI=1S/C8H8BrN3/c1-4-6(9)2-5-7(10)3-11-8(5)12-4/h2-3H,10H2,1H3,(H,11,12)
InChI Key:
VFSMVLHMZHFKFE-UHFFFAOYSA-N
SMILES:
Cc1nc2[nH]cc(c2cc1Br)N
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.99g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.077g/mol
Monoisotopic Mass:
224.99g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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