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1227618-86-1 | 4-Bromobenzyl furfuryl ether
CAS No: 1227618-86-1 Catalog No: AG01FF9I MDL No:
Product Description
Catalog Number:
AG01FF9I
Chemical Name:
4-Bromobenzyl furfuryl ether
CAS Number:
1227618-86-1
Molecular Formula:
C12H11BrO2
Molecular Weight:
267.1185
IUPAC Name:
2-[(4-bromophenyl)methoxymethyl]furan
InChI:
InChI=1S/C12H11BrO2/c13-11-5-3-10(4-6-11)8-14-9-12-2-1-7-15-12/h1-7H,8-9H2
InChI Key:
LJOHKQCJMDZJMS-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)COCc1ccco1
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.994g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.122g/mol
Monoisotopic Mass:
265.994g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
22.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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