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Home > Aldehydes > 945717-06-6
945717-06-6 | 4-Chloro-3-ethylbenzaldehyde
CAS No: 945717-06-6 Catalog No: AG01EZJQ MDL No:MFCD11111044
Product Description
Catalog Number:
AG01EZJQ
Chemical Name:
4-Chloro-3-ethylbenzaldehyde
CAS Number:
945717-06-6
Molecular Formula:
C9H9ClO
Molecular Weight:
168.6202
MDL Number:
MFCD11111044
IUPAC Name:
4-chloro-3-ethylbenzaldehyde
InChI:
InChI=1S/C9H9ClO/c1-2-8-5-7(6-11)3-4-9(8)10/h3-6H,2H2,1H3
InChI Key:
CZMHKIAIPIIRRO-UHFFFAOYSA-N
SMILES:
CCc1cc(C=O)ccc1Cl
Properties
Complexity:
136
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:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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