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1246553-15-0 | 1H-Indazole, 3-bromo-4,5,6,7-tetrahydro-
CAS No: 1246553-15-0 Catalog No: AG000MJ5 MDL No:MFCD12827987
Product Description
Catalog Number:
AG000MJ5
Chemical Name:
1H-Indazole, 3-bromo-4,5,6,7-tetrahydro-
CAS Number:
1246553-15-0
Molecular Formula:
C7H9BrN2
Molecular Weight:
201.0638
MDL Number:
MFCD12827987
IUPAC Name:
3-bromo-4,5,6,7-tetrahydro-1H-indazole
InChI:
InChI=1S/C7H9BrN2/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H2,(H,9,10)
InChI Key:
ZEDITHCBNPLRPS-UHFFFAOYSA-N
SMILES:
Brc1n[nH]c2c1CCCC2
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.995g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.067g/mol
Monoisotopic Mass:
199.995g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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