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1000342-03-9 | 1H-Indazol-4-amine, 6-bromo-3-methyl-
CAS No: 1000342-03-9 Catalog No: AG0000J3 MDL No:
Product Description
Catalog Number:
AG0000J3
Chemical Name:
1H-Indazol-4-amine, 6-bromo-3-methyl-
CAS Number:
1000342-03-9
Molecular Formula:
C8H8BrN3
Molecular Weight:
226.0732
IUPAC Name:
6-bromo-3-methyl-2H-indazol-4-amine
InChI:
InChI=1S/C8H8BrN3/c1-4-8-6(10)2-5(9)3-7(8)12-11-4/h2-3H,10H2,1H3,(H,11,12)
InChI Key:
XMAMFUFNVSKGRF-UHFFFAOYSA-N
SMILES:
Brc1cc(N)c2c(c1)[nH]nc2C
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:
2
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