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88594-94-9 | 1,4-Methanonaphthalene-6-carboxaldehyde, 7-chloro-1,4-dihydro-
CAS No: 88594-94-9 Catalog No: AG004BLV MDL No:
Product Description
Catalog Number:
AG004BLV
Chemical Name:
1,4-Methanonaphthalene-6-carboxaldehyde, 7-chloro-1,4-dihydro-
CAS Number:
88594-94-9
Molecular Formula:
C12H9ClO
Molecular Weight:
204.6523
IUPAC Name:
5-chlorotricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene-4-carbaldehyde
InChI:
InChI=1S/C12H9ClO/c13-12-5-11-8-2-1-7(3-8)10(11)4-9(12)6-14/h1-2,4-8H,3H2
InChI Key:
PUNPPEVKXJYPKR-UHFFFAOYSA-N
SMILES:
O=Cc1cc2C3C=CC(c2cc1Cl)C3
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.034g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.653g/mol
Monoisotopic Mass:
204.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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