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175136-09-1 | 1H-Indene, 5-bromo-2,3-dihydro-4-methoxy-7-methyl-
CAS No: 175136-09-1 Catalog No: AG00208A MDL No:MFCD00173680
Product Description
Catalog Number:
AG00208A
Chemical Name:
1H-Indene, 5-bromo-2,3-dihydro-4-methoxy-7-methyl-
CAS Number:
175136-09-1
Molecular Formula:
C11H13BrO
Molecular Weight:
241.1243
MDL Number:
MFCD00173680
IUPAC Name:
5-bromo-4-methoxy-7-methyl-2,3-dihydro-1H-indene
InChI:
InChI=1S/C11H13BrO/c1-7-6-10(12)11(13-2)9-5-3-4-8(7)9/h6H,3-5H2,1-2H3
InChI Key:
IKBZAUYPBWFMDI-UHFFFAOYSA-N
SMILES:
COc1c(Br)cc(c2c1CCC2)C
Properties
Complexity:
183
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:
3.8
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