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99585-10-1 | 3-CHLORO-4-ETHOXYBENZALDEHYDE
CAS No: 99585-10-1 Catalog No: AG0064WP MDL No:MFCD06246171
Product Description
Catalog Number:
AG0064WP
Chemical Name:
3-CHLORO-4-ETHOXYBENZALDEHYDE
CAS Number:
99585-10-1
Molecular Formula:
C9H9ClO2
Molecular Weight:
184.6196
MDL Number:
MFCD06246171
IUPAC Name:
3-chloro-4-ethoxybenzaldehyde
InChI:
InChI=1S/C9H9ClO2/c1-2-12-9-4-3-7(6-11)5-8(9)10/h3-6H,2H2,1H3
InChI Key:
ZYDPBMFCTQAEMR-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1Cl)C=O
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.029g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.619g/mol
Monoisotopic Mass:
184.029g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| N-(3-Chloro-4-eth-oxy-benzo-yl)-N'-(2-meth-oxy-phen-yl)thio-urea. | Acta crystallographica. Section E, Structure reports online 20110201 |
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