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145964-98-3 | Ethanone, 2-bromo-1-(2-methoxy-4-methylphenyl)-
CAS No: 145964-98-3 Catalog No: AG001DKN MDL No:MFCD08239631
Product Description
Catalog Number:
AG001DKN
Chemical Name:
Ethanone, 2-bromo-1-(2-methoxy-4-methylphenyl)-
CAS Number:
145964-98-3
Molecular Formula:
C10H11BrO2
Molecular Weight:
243.0971
MDL Number:
MFCD08239631
IUPAC Name:
2-bromo-1-(2-methoxy-4-methylphenyl)ethanone
InChI:
InChI=1S/C10H11BrO2/c1-7-3-4-8(9(12)6-11)10(5-7)13-2/h3-5H,6H2,1-2H3
InChI Key:
IAZADMHPVRMXMC-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(cc1OC)C
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.994g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.1g/mol
Monoisotopic Mass:
241.994g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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