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88039-51-4 | 2-Propenoic acid, 2-(bromomethyl)-3-(2-chlorophenyl)-, ethyl ester, (Z)-
CAS No: 88039-51-4 Catalog No: AG004N17 MDL No:
Product Description
Catalog Number:
AG004N17
Chemical Name:
2-Propenoic acid, 2-(bromomethyl)-3-(2-chlorophenyl)-, ethyl ester, (Z)-
CAS Number:
88039-51-4
Molecular Formula:
C12H12BrClO2
Molecular Weight:
303.5795
IUPAC Name:
ethyl 2-(bromomethyl)-3-(2-chlorophenyl)prop-2-enoate
InChI:
InChI=1S/C12H12BrClO2/c1-2-16-12(15)10(8-13)7-9-5-3-4-6-11(9)14/h3-7H,2,8H2,1H3
InChI Key:
YZWMTHKWFZHDPL-UHFFFAOYSA-N
SMILES:
CCOC(=O)/C(=C/c1ccccc1Cl)/CBr
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.971g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.58g/mol
Monoisotopic Mass:
301.971g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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