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590417-94-0 | 6-Bromo-1-methyl-1H-indazole
CAS No: 590417-94-0 Catalog No: AG003N3K MDL No:MFCD09878569
Product Description
Catalog Number:
AG003N3K
Chemical Name:
6-Bromo-1-methyl-1H-indazole
CAS Number:
590417-94-0
Molecular Formula:
C8H7BrN2
Molecular Weight:
211.0586
MDL Number:
MFCD09878569
IUPAC Name:
6-bromo-1-methylindazole
InChI:
InChI=1S/C8H7BrN2/c1-11-8-4-7(9)3-2-6(8)5-10-11/h2-5H,1H3
InChI Key:
SVVSOIGNROPKMS-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)n(C)nc2
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.979g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.062g/mol
Monoisotopic Mass:
209.979g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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