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133156-39-5 | Benzoic acid, 2,4-bis(acetyloxy)-6-(bromomethyl)-, ethyl ester
CAS No: 133156-39-5 Catalog No: AG0014CO MDL No:
Product Description
Catalog Number:
AG0014CO
Chemical Name:
Benzoic acid, 2,4-bis(acetyloxy)-6-(bromomethyl)-, ethyl ester
CAS Number:
133156-39-5
Molecular Formula:
C14H15BrO6
Molecular Weight:
359.1693
IUPAC Name:
ethyl 2,4-diacetyloxy-6-(bromomethyl)benzoate
InChI:
InChI=1S/C14H15BrO6/c1-4-19-14(18)13-10(7-15)5-11(20-8(2)16)6-12(13)21-9(3)17/h5-6H,4,7H2,1-3H3
InChI Key:
BIRMIDYOXRWGSV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(CBr)cc(cc1OC(=O)C)OC(=O)C
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.005g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
359.172g/mol
Monoisotopic Mass:
358.005g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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