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148252-42-0 | Benzoic acid, 4-(2-bromo-2-propen-1-yl)-, ethyl ester
CAS No: 148252-42-0 Catalog No: AG001FKM MDL No:MFCD00671908
Product Description
Catalog Number:
AG001FKM
Chemical Name:
Benzoic acid, 4-(2-bromo-2-propen-1-yl)-, ethyl ester
CAS Number:
148252-42-0
Molecular Formula:
C12H13BrO2
Molecular Weight:
269.1344
MDL Number:
MFCD00671908
IUPAC Name:
ethyl 4-(2-bromoprop-2-enyl)benzoate
InChI:
InChI=1S/C12H13BrO2/c1-3-15-12(14)11-6-4-10(5-7-11)8-9(2)13/h4-7H,2-3,8H2,1H3
InChI Key:
RDHUNEJVWMZFBM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)CC(=C)Br
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.01g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.138g/mol
Monoisotopic Mass:
268.01g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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