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88174-50-9 | Benzaldehyde, 3-chloro-6-methoxy-2,4,5-trimethyl-
CAS No: 88174-50-9 Catalog No: AG004D6A MDL No:
Product Description
Catalog Number:
AG004D6A
Chemical Name:
Benzaldehyde, 3-chloro-6-methoxy-2,4,5-trimethyl-
CAS Number:
88174-50-9
Molecular Formula:
C11H13ClO2
Molecular Weight:
212.6727
IUPAC Name:
5-chloro-2-methoxy-3,4,6-trimethylbenzaldehyde
InChI:
InChI=1S/C11H13ClO2/c1-6-7(2)11(14-4)9(5-13)8(3)10(6)12/h5H,1-4H3
InChI Key:
BAHAENFMGDMHQA-UHFFFAOYSA-N
SMILES:
O=Cc1c(OC)c(C)c(c(c1C)Cl)C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.06g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.673g/mol
Monoisotopic Mass:
212.06g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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