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1774-09-0 | 1-Propanone, 1-[4-(benzoyloxy)-3-methoxyphenyl]-2-bromo-
CAS No: 1774-09-0 Catalog No: AG0025AZ MDL No:
Product Description
Catalog Number:
AG0025AZ
Chemical Name:
1-Propanone, 1-[4-(benzoyloxy)-3-methoxyphenyl]-2-bromo-
CAS Number:
1774-09-0
Molecular Formula:
C17H15BrO4
Molecular Weight:
363.2026
IUPAC Name:
[4-(2-bromopropanoyl)-2-methoxyphenyl] benzoate
InChI:
InChI=1S/C17H15BrO4/c1-11(18)16(19)13-8-9-14(15(10-13)21-2)22-17(20)12-6-4-3-5-7-12/h3-11H,1-2H3
InChI Key:
RNWCQJRROAWTEQ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC(=O)c1ccccc1)C(=O)C(Br)C
NSC Number:
47104
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.015g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.207g/mol
Monoisotopic Mass:
362.015g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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