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247186-50-1 | Benzoic acid, 4-bromo-3-(phenylmethoxy)-, 1,1-dimethylethyl ester
CAS No: 247186-50-1 Catalog No: AG002P6H MDL No:MFCD09027266
Product Description
Catalog Number:
AG002P6H
Chemical Name:
Benzoic acid, 4-bromo-3-(phenylmethoxy)-, 1,1-dimethylethyl ester
CAS Number:
247186-50-1
Molecular Formula:
C18H19BrO3
Molecular Weight:
363.2457
MDL Number:
MFCD09027266
IUPAC Name:
tert-butyl 4-bromo-3-phenylmethoxybenzoate
InChI:
InChI=1S/C18H19BrO3/c1-18(2,3)22-17(20)14-9-10-15(19)16(11-14)21-12-13-7-5-4-6-8-13/h4-11H,12H2,1-3H3
InChI Key:
YLDFIOUCSZWEGJ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)OCc1ccccc1)Br)OC(C)(C)C
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.052g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.251g/mol
Monoisotopic Mass:
362.052g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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