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41727-58-6 | 3,5-Dichloro-4-methoxybenzaldehyde
CAS No: 41727-58-6 Catalog No: AG00379H MDL No:MFCD04070684
Product Description
Catalog Number:
AG00379H
Chemical Name:
3,5-Dichloro-4-methoxybenzaldehyde
CAS Number:
41727-58-6
Molecular Formula:
C8H6Cl2O2
Molecular Weight:
205.0380
MDL Number:
MFCD04070684
IUPAC Name:
3,5-dichloro-4-methoxybenzaldehyde
InChI:
InChI=1S/C8H6Cl2O2/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-4H,1H3
InChI Key:
LEEKELDJRCUBEM-UHFFFAOYSA-N
SMILES:
COc1c(Cl)cc(cc1Cl)C=O
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.974g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.034g/mol
Monoisotopic Mass:
203.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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