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Home > Bromides > 1276075-40-1
1276075-40-1 | 1H-Indazole, 5-bromo-3-(1-methylethyl)-
CAS No: 1276075-40-1 Catalog No: AG000X82 MDL No:MFCD22034709
Product Description
Catalog Number:
AG000X82
Chemical Name:
1H-Indazole, 5-bromo-3-(1-methylethyl)-
CAS Number:
1276075-40-1
Molecular Formula:
C10H11BrN2
Molecular Weight:
239.1117
MDL Number:
MFCD22034709
IUPAC Name:
5-bromo-3-propan-2-yl-2H-indazole
InChI:
InChI=1S/C10H11BrN2/c1-6(2)10-8-5-7(11)3-4-9(8)12-13-10/h3-6H,1-2H3,(H,12,13)
InChI Key:
MCJCHBZWFJDUJH-UHFFFAOYSA-N
SMILES:
CC(c1n[nH]c2c1cc(Br)cc2)C
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.011g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.116g/mol
Monoisotopic Mass:
238.011g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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