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746651-78-5 | 2-BROMO-4'CARBOETHOXYBENZOPHENONE
CAS No: 746651-78-5 Catalog No: AG005IHS MDL No:MFCD00672022
Product Description
Catalog Number:
AG005IHS
Chemical Name:
2-BROMO-4'CARBOETHOXYBENZOPHENONE
CAS Number:
746651-78-5
Molecular Formula:
C16H13BrO3
Molecular Weight:
333.1766
MDL Number:
MFCD00672022
IUPAC Name:
ethyl 4-(2-bromobenzoyl)benzoate
InChI:
InChI=1S/C16H13BrO3/c1-2-20-16(19)12-9-7-11(8-10-12)15(18)13-5-3-4-6-14(13)17/h3-10H,2H2,1H3
InChI Key:
KJEVRARDFQLTST-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)C(=O)c1ccccc1Br
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.005g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.181g/mol
Monoisotopic Mass:
332.005g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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