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1000018-06-3 | 1H-Indazol-3-amine, 5-bromo-1-methyl-
CAS No: 1000018-06-3 Catalog No: AG000099 MDL No:MFCD09864804
Product Description
Catalog Number:
AG000099
Chemical Name:
1H-Indazol-3-amine, 5-bromo-1-methyl-
CAS Number:
1000018-06-3
Molecular Formula:
C8H8BrN3
Molecular Weight:
226.0732
MDL Number:
MFCD09864804
IUPAC Name:
5-bromo-1-methylindazol-3-amine
InChI:
InChI=1S/C8H8BrN3/c1-12-7-3-2-5(9)4-6(7)8(10)11-12/h2-4H,1H3,(H2,10,11)
InChI Key:
BKBSBRJIGMVBFM-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(N)nn2C
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:
1
Isotope Atom Count:
0
Molecular Weight:
226.077g/mol
Monoisotopic Mass:
224.99g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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