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942474-94-4 | 4-(3-Bromo-phenyl)-3-oxo-butyric acid methyl ester
CAS No: 942474-94-4 Catalog No: AG01EZGK MDL No:
Product Description
Catalog Number:
AG01EZGK
Chemical Name:
4-(3-Bromo-phenyl)-3-oxo-butyric acid methyl ester
CAS Number:
942474-94-4
Molecular Formula:
C11H11BrO3
Molecular Weight:
271.1072
IUPAC Name:
methyl 4-(3-bromophenyl)-3-oxobutanoate
InChI:
InChI=1S/C11H11BrO3/c1-15-11(14)7-10(13)6-8-3-2-4-9(12)5-8/h2-5H,6-7H2,1H3
InChI Key:
INLSGSQEXWWHGA-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)Cc1cccc(c1)Br
Properties
Complexity:
240
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:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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