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1001906-63-3 | Ethanone, 1-(1H-indazol-5-yl)-
CAS No: 1001906-63-3 Catalog No: AG00016P MDL No:MFCD11869763
Product Description
Catalog Number:
AG00016P
Chemical Name:
Ethanone, 1-(1H-indazol-5-yl)-
CAS Number:
1001906-63-3
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD11869763
IUPAC Name:
1-(1H-indazol-5-yl)ethanone
InChI:
InChI=1S/C9H8N2O/c1-6(12)7-2-3-9-8(4-7)5-10-11-9/h2-5H,1H3,(H,10,11)
InChI Key:
WYLOAPVBIBQLJT-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc2c(c1)cn[nH]2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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