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1158680-87-5 | Ethanone, 1-(7-broMo-1H-indazol-1-yl)-
CAS No: 1158680-87-5 Catalog No: AG000GZ5 MDL No:
Product Description
Catalog Number:
AG000GZ5
Chemical Name:
Ethanone, 1-(7-broMo-1H-indazol-1-yl)-
CAS Number:
1158680-87-5
Molecular Formula:
C9H7BrN2O
Molecular Weight:
239.0687
IUPAC Name:
1-(7-bromoindazol-1-yl)ethanone
InChI:
InChI=1S/C9H7BrN2O/c1-6(13)12-9-7(5-11-12)3-2-4-8(9)10/h2-5H,1H3
InChI Key:
OERWCDJFJQROCH-UHFFFAOYSA-N
SMILES:
Brc1cccc2c1n(nc2)C(=O)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.072g/mol
Monoisotopic Mass:
237.974g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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