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890097-81-1 | 3-(3-ACETOXYPHENYL)-2-BROMO-1-PROPENE
CAS No: 890097-81-1 Catalog No: AG0044V0 MDL No:
Product Description
Catalog Number:
AG0044V0
Chemical Name:
3-(3-ACETOXYPHENYL)-2-BROMO-1-PROPENE
CAS Number:
890097-81-1
Molecular Formula:
C11H11BrO2
Molecular Weight:
255.1078
IUPAC Name:
[3-(2-bromoprop-2-enyl)phenyl] acetate
InChI:
InChI=1S/C11H11BrO2/c1-8(12)6-10-4-3-5-11(7-10)14-9(2)13/h3-5,7H,1,6H2,2H3
InChI Key:
WUUJVSDFFJSZNA-UHFFFAOYSA-N
SMILES:
BrC(=C)Cc1cccc(c1)OC(=O)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.994g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.111g/mol
Monoisotopic Mass:
253.994g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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