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196598-26-2 | Benzofuran, 5-(bromomethyl)-2,3-dihydro-
CAS No: 196598-26-2 Catalog No: AG01FC48 MDL No:
Product Description
Catalog Number:
AG01FC48
Chemical Name:
Benzofuran, 5-(bromomethyl)-2,3-dihydro-
CAS Number:
196598-26-2
Molecular Formula:
C9H9BrO
Molecular Weight:
213.0712
IUPAC Name:
5-(bromomethyl)-2,3-dihydro-1-benzofuran
InChI:
InChI=1S/C9H9BrO/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,5H,3-4,6H2
InChI Key:
UPSPQUADNGEWNP-UHFFFAOYSA-N
SMILES:
BrCc1ccc2c(c1)CCO2
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.984g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.074g/mol
Monoisotopic Mass:
211.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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