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19997-52-5 | Benzofuran, 2-(bromomethyl)-2,3-dihydro-5-methoxy-
CAS No: 19997-52-5 Catalog No: AG002CH7 MDL No:
Product Description
Catalog Number:
AG002CH7
Chemical Name:
Benzofuran, 2-(bromomethyl)-2,3-dihydro-5-methoxy-
CAS Number:
19997-52-5
Molecular Formula:
C10H11BrO2
Molecular Weight:
243.0971
IUPAC Name:
2-(bromomethyl)-5-methoxy-2,3-dihydro-1-benzofuran
InChI:
InChI=1S/C10H11BrO2/c1-12-8-2-3-10-7(4-8)5-9(6-11)13-10/h2-4,9H,5-6H2,1H3
InChI Key:
OJTFMQIEFYRCRZ-UHFFFAOYSA-N
SMILES:
BrCC1Oc2c(C1)cc(cc2)OC
EC Number:
243-457-3
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.994g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.1g/mol
Monoisotopic Mass:
241.994g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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