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294881-10-0 | Benzenepropanoic acid, 3-bromo-β-oxo-, methyl ester
CAS No: 294881-10-0 Catalog No: AG002YJN MDL No:MFCD03424774
Product Description
Catalog Number:
AG002YJN
Chemical Name:
Benzenepropanoic acid, 3-bromo-β-oxo-, methyl ester
CAS Number:
294881-10-0
Molecular Formula:
C10H9BrO3
Molecular Weight:
257.0807
MDL Number:
MFCD03424774
IUPAC Name:
methyl 3-(3-bromophenyl)-3-oxopropanoate
InChI:
InChI=1S/C10H9BrO3/c1-14-10(13)6-9(12)7-3-2-4-8(11)5-7/h2-5H,6H2,1H3
InChI Key:
ARQSZPQWKHRYTH-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)c1cccc(c1)Br
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.974g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.083g/mol
Monoisotopic Mass:
255.974g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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