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180004-53-9 | Benzofuran, 7-(bromomethyl)-2,3-dihydro-2,2-dimethyl-
CAS No: 180004-53-9 Catalog No: AG0021KZ MDL No:
Product Description
Catalog Number:
AG0021KZ
Chemical Name:
Benzofuran, 7-(bromomethyl)-2,3-dihydro-2,2-dimethyl-
CAS Number:
180004-53-9
Molecular Formula:
C11H13BrO
Molecular Weight:
241.1243
IUPAC Name:
7-(bromomethyl)-2,2-dimethyl-3H-1-benzofuran
InChI:
InChI=1S/C11H13BrO/c1-11(2)6-8-4-3-5-9(7-12)10(8)13-11/h3-5H,6-7H2,1-2H3
InChI Key:
HSVUTWIVZANIHR-UHFFFAOYSA-N
SMILES:
BrCc1cccc2c1OC(C2)(C)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.015g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.128g/mol
Monoisotopic Mass:
240.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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