Home Halogens 1-acetyl-5-bromo-1H-indazole

1-acetyl-5-bromo-1H-indazole

CAS No.:
152626-92-1
Catalog Number:
AG00HY2N
Molecular Formula:
C9H7BrN2O
Molecular Weight:
239.0687
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Product Description
Catalog Number:
AG00HY2N
Chemical Name:
1-acetyl-5-bromo-1H-indazole
CAS Number:
152626-92-1
Molecular Formula:
C9H7BrN2O
Molecular Weight:
239.0687
MDL Number:
MFCD17167291
IUPAC Name:
1-(5-bromoindazol-1-yl)ethanone
InChI:
InChI=1S/C9H7BrN2O/c1-6(13)12-9-3-2-8(10)4-7(9)5-11-12/h2-5H,1H3
InChI Key:
IFPRNHHJTZSJAM-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)cnn2C(=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  
Properties