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Home > Bromides > 1243144-97-9
1243144-97-9 | Benzeneacetic acid, α-acetyl-2-bromo-, methyl ester
CAS No: 1243144-97-9 Catalog No: AG000LTG MDL No:
Product Description
Catalog Number:
AG000LTG
Chemical Name:
Benzeneacetic acid, α-acetyl-2-bromo-, methyl ester
CAS Number:
1243144-97-9
Molecular Formula:
C11H11BrO3
Molecular Weight:
271.1072
IUPAC Name:
methyl 2-(2-bromophenyl)-3-oxobutanoate
InChI:
InChI=1S/C11H11BrO3/c1-7(13)10(11(14)15-2)8-5-3-4-6-9(8)12/h3-6,10H,1-2H3
InChI Key:
KWNLLHXMARGDDM-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccccc1Br)C(=O)C
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.989g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.11g/mol
Monoisotopic Mass:
269.989g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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