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19019-23-9 | Benzofuran, 5-bromo-2-(1-methylethyl)-
CAS No: 19019-23-9 Catalog No: AG002EED MDL No:
Product Description
Catalog Number:
AG002EED
Chemical Name:
Benzofuran, 5-bromo-2-(1-methylethyl)-
CAS Number:
19019-23-9
Molecular Formula:
C11H11BrO
Molecular Weight:
239.1084
IUPAC Name:
5-bromo-2-propan-2-yl-1-benzofuran
InChI:
InChI=1S/C11H11BrO/c1-7(2)11-6-8-5-9(12)3-4-10(8)13-11/h3-7H,1-2H3
InChI Key:
YNDKQFKOMRVQAC-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)cc(o2)C(C)C
NSC Number:
115700
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.999g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.112g/mol
Monoisotopic Mass:
237.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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