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27590-77-8 | Benzaldehyde, 5-chloro-2-(2-methylpropoxy)-
CAS No: 27590-77-8 Catalog No: AG002U6E MDL No:MFCD03422442
Product Description
Catalog Number:
AG002U6E
Chemical Name:
Benzaldehyde, 5-chloro-2-(2-methylpropoxy)-
CAS Number:
27590-77-8
Molecular Formula:
C11H13ClO2
Molecular Weight:
212.6727
MDL Number:
MFCD03422442
IUPAC Name:
5-chloro-2-(2-methylpropoxy)benzaldehyde
InChI:
InChI=1S/C11H13ClO2/c1-8(2)7-14-11-4-3-10(12)5-9(11)6-13/h3-6,8H,7H2,1-2H3
InChI Key:
NPNJQVRTLWNEAT-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Cl)ccc1OCC(C)C
Properties
Complexity:
182
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:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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