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155030-52-7 | Benzoic acid, 4-(bromomethyl)-, 2-propen-1-yl ester
CAS No: 155030-52-7 Catalog No: AG001NJX MDL No:
Product Description
Catalog Number:
AG001NJX
Chemical Name:
Benzoic acid, 4-(bromomethyl)-, 2-propen-1-yl ester
CAS Number:
155030-52-7
Molecular Formula:
C11H11BrO2
Molecular Weight:
255.1078
IUPAC Name:
prop-2-enyl 4-(bromomethyl)benzoate
InChI:
InChI=1S/C11H11BrO2/c1-2-7-14-11(13)10-5-3-9(8-12)4-6-10/h2-6H,1,7-8H2
InChI Key:
ZZTZFWQBSIBRSW-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1)C(=O)OCC=C
Properties
Complexity:
196
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:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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