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88099-28-9 | 1H-Indene-3-carboxaldehyde, 2-chloro-
CAS No: 88099-28-9 Catalog No: AG004J26 MDL No:
Product Description
Catalog Number:
AG004J26
Chemical Name:
1H-Indene-3-carboxaldehyde, 2-chloro-
CAS Number:
88099-28-9
Molecular Formula:
C10H7ClO
Molecular Weight:
178.6150
IUPAC Name:
2-chloro-3H-indene-1-carbaldehyde
InChI:
InChI=1S/C10H7ClO/c11-10-5-7-3-1-2-4-8(7)9(10)6-12/h1-4,6H,5H2
InChI Key:
GCYDWEAUOHTNKY-UHFFFAOYSA-N
SMILES:
O=CC1=C(Cl)Cc2c1cccc2
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.019g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.615g/mol
Monoisotopic Mass:
178.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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