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136333-97-6 | Benzoic acid, 4-(2-bromoethyl)-, methyl ester
CAS No: 136333-97-6 Catalog No: AG0011O6 MDL No:MFCD14708225
Product Description
Catalog Number:
AG0011O6
Chemical Name:
Benzoic acid, 4-(2-bromoethyl)-, methyl ester
CAS Number:
136333-97-6
Molecular Formula:
C10H11BrO2
Molecular Weight:
243.0971
MDL Number:
MFCD14708225
IUPAC Name:
methyl 4-(2-bromoethyl)benzoate
InChI:
InChI=1S/C10H11BrO2/c1-13-10(12)9-4-2-8(3-5-9)6-7-11/h2-5H,6-7H2,1H3
InChI Key:
HNNUQHJWFIPTLJ-UHFFFAOYSA-N
SMILES:
BrCCc1ccc(cc1)C(=O)OC
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.994g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.1g/mol
Monoisotopic Mass:
241.994g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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