Home Halogens 2-bromo-1-(1-methyl-1H-indazol-3-yl)ethan-1-one

2-bromo-1-(1-methyl-1H-indazol-3-yl)ethan-1-one

CAS No.:
1493852-73-5
Catalog Number:
AG01DVE5
Molecular Formula:
C10H9BrN2O
Molecular Weight:
253.0953
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Product Description
Catalog Number:
AG01DVE5
Chemical Name:
2-bromo-1-(1-methyl-1H-indazol-3-yl)ethan-1-one
CAS Number:
1493852-73-5
Molecular Formula:
C10H9BrN2O
Molecular Weight:
253.0953
MDL Number:
MFCD28350335
IUPAC Name:
2-bromo-1-(1-methylindazol-3-yl)ethanone
InChI:
InChI=1S/C10H9BrN2O/c1-13-8-5-3-2-4-7(8)10(12-13)9(14)6-11/h2-5H,6H2,1H3
InChI Key:
AQZBRCROZGJLSQ-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1nn(c2c1cccc2)C
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.99g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.099g/mol
Monoisotopic Mass:
251.99g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties