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88632-92-2 | 1H-Indene-5-carboxaldehyde, 7-bromo-2,3-dihydro-4,6-dimethyl-
CAS No: 88632-92-2 Catalog No: AG004A78 MDL No:
Product Description
Catalog Number:
AG004A78
Chemical Name:
1H-Indene-5-carboxaldehyde, 7-bromo-2,3-dihydro-4,6-dimethyl-
CAS Number:
88632-92-2
Molecular Formula:
C12H13BrO
Molecular Weight:
253.1350
IUPAC Name:
7-bromo-4,6-dimethyl-2,3-dihydro-1H-indene-5-carbaldehyde
InChI:
InChI=1S/C12H13BrO/c1-7-9-4-3-5-10(9)12(13)8(2)11(7)6-14/h6H,3-5H2,1-2H3
InChI Key:
IKJHWRMJIBOUFW-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)c(Br)c2c(c1C)CCC2
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.015g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.139g/mol
Monoisotopic Mass:
252.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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