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204632-98-4 | Benzoic acid, 2-(acetyloxy)-, 3-bromopropyl ester
CAS No: 204632-98-4 Catalog No: AG0029LQ MDL No:
Product Description
Catalog Number:
AG0029LQ
Chemical Name:
Benzoic acid, 2-(acetyloxy)-, 3-bromopropyl ester
CAS Number:
204632-98-4
Molecular Formula:
C12H13BrO4
Molecular Weight:
301.1332
IUPAC Name:
3-bromopropyl 2-acetyloxybenzoate
InChI:
InChI=1S/C12H13BrO4/c1-9(14)17-11-6-3-2-5-10(11)12(15)16-8-4-7-13/h2-3,5-6H,4,7-8H2,1H3
InChI Key:
DFBXNPRZYSGLHD-UHFFFAOYSA-N
SMILES:
BrCCCOC(=O)c1ccccc1OC(=O)C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.136g/mol
Monoisotopic Mass:
300g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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