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851777-30-5 | 2-(2-BROMO-PHENYL)-2,3-DIHYDRO-BENZOFURAN-5-CARBOXYLIC ACID METHYL ESTER
CAS No: 851777-30-5 Catalog No: AG004QOA MDL No:
Product Description
Catalog Number:
AG004QOA
Chemical Name:
2-(2-BROMO-PHENYL)-2,3-DIHYDRO-BENZOFURAN-5-CARBOXYLIC ACID METHYL ESTER
CAS Number:
851777-30-5
Molecular Formula:
C16H13BrO3
Molecular Weight:
333.1766
IUPAC Name:
methyl 2-(2-bromophenyl)-2,3-dihydro-1-benzofuran-5-carboxylate
InChI:
InChI=1S/C16H13BrO3/c1-19-16(18)10-6-7-14-11(8-10)9-15(20-14)12-4-2-3-5-13(12)17/h2-8,15H,9H2,1H3
InChI Key:
VWHHWLMRPXKRKT-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)CC(O2)c1ccccc1Br
Properties
Complexity:
360
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:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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