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199172-01-5 | 1H-Indazole, 6-bromo-3-ethyl-
CAS No: 199172-01-5 Catalog No: AG002BY5 MDL No:MFCD11044593
Product Description
Catalog Number:
AG002BY5
Chemical Name:
1H-Indazole, 6-bromo-3-ethyl-
CAS Number:
199172-01-5
Molecular Formula:
C9H9BrN2
Molecular Weight:
225.0852
MDL Number:
MFCD11044593
IUPAC Name:
6-bromo-3-ethyl-2H-indazole
InChI:
InChI=1S/C9H9BrN2/c1-2-8-7-4-3-6(10)5-9(7)12-11-8/h3-5H,2H2,1H3,(H,11,12)
InChI Key:
XZRBYJWQQQBHLP-UHFFFAOYSA-N
SMILES:
CCc1n[nH]c2c1ccc(c2)Br
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.995g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.089g/mol
Monoisotopic Mass:
223.995g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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