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139963-13-6 | Benzoic acid, 2-bromo-5-methoxy-4-(phenylmethoxy)-, methyl ester
CAS No: 139963-13-6 Catalog No: AG001BV9 MDL No:
Product Description
Catalog Number:
AG001BV9
Chemical Name:
Benzoic acid, 2-bromo-5-methoxy-4-(phenylmethoxy)-, methyl ester
CAS Number:
139963-13-6
Molecular Formula:
C16H15BrO4
Molecular Weight:
351.1919
IUPAC Name:
methyl 2-bromo-5-methoxy-4-phenylmethoxybenzoate
InChI:
InChI=1S/C16H15BrO4/c1-19-14-8-12(16(18)20-2)13(17)9-15(14)21-10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChI Key:
MFAJIFRJEGMYNB-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(OC)c(cc1Br)OCc1ccccc1
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.015g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.196g/mol
Monoisotopic Mass:
350.015g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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