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Home > Bromides > 1015936-63-6
1015936-63-6 | Ethanone, 2-bromo-1-(1,3-dimethyl-1H-pyrazol-5-yl)-
CAS No: 1015936-63-6 Catalog No: AG0004X1 MDL No:MFCD08448179
Product Description
Catalog Number:
AG0004X1
Chemical Name:
Ethanone, 2-bromo-1-(1,3-dimethyl-1H-pyrazol-5-yl)-
CAS Number:
1015936-63-6
Molecular Formula:
C7H9BrN2O
Molecular Weight:
217.0632
MDL Number:
MFCD08448179
IUPAC Name:
2-bromo-1-(2,5-dimethylpyrazol-3-yl)ethanone
InChI:
InChI=1S/C7H9BrN2O/c1-5-3-6(7(11)4-8)10(2)9-5/h3H,4H2,1-2H3
InChI Key:
KVFFAPKXWKOIRP-UHFFFAOYSA-N
SMILES:
Cn1nc(cc1C(=O)CBr)C
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.99g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.066g/mol
Monoisotopic Mass:
215.99g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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