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88174-22-5 | Benzaldehyde, 2-chloro-4,6-dimethyl-
CAS No: 88174-22-5 Catalog No: AG004CJ4 MDL No:
Product Description
Catalog Number:
AG004CJ4
Chemical Name:
Benzaldehyde, 2-chloro-4,6-dimethyl-
CAS Number:
88174-22-5
Molecular Formula:
C9H9ClO
Molecular Weight:
168.6202
IUPAC Name:
2-chloro-4,6-dimethylbenzaldehyde
InChI:
InChI=1S/C9H9ClO/c1-6-3-7(2)8(5-11)9(10)4-6/h3-5H,1-2H3
InChI Key:
VRQBJXIKTQNAKK-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)cc(cc1Cl)C
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.034g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.62g/mol
Monoisotopic Mass:
168.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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