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6045-90-5 | 4-chloro-2,6-dimethylbenzaldehyde
CAS No: 6045-90-5 Catalog No: AG01A2RA MDL No:MFCD11846957
Product Description
Catalog Number:
AG01A2RA
Chemical Name:
4-chloro-2,6-dimethylbenzaldehyde
CAS Number:
6045-90-5
Molecular Formula:
C9H9ClO
Molecular Weight:
168.6202
MDL Number:
MFCD11846957
IUPAC Name:
4-chloro-2,6-dimethylbenzaldehyde
InChI:
InChI=1S/C9H9ClO/c1-6-3-8(10)4-7(2)9(6)5-11/h3-5H,1-2H3
InChI Key:
GRVCMDLDRVEOSY-UHFFFAOYSA-N
SMILES:
O=Cc1c(C)cc(cc1C)Cl
Properties
Complexity:
135
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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