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1250807-56-7 | 3-Chloro-4-iso-pentoxybenzaldehyde
CAS No: 1250807-56-7 Catalog No: AG01FE44 MDL No:
Product Description
Catalog Number:
AG01FE44
Chemical Name:
3-Chloro-4-iso-pentoxybenzaldehyde
CAS Number:
1250807-56-7
Molecular Formula:
C12H15ClO2
Molecular Weight:
226.6993
IUPAC Name:
3-chloro-4-(3-methylbutoxy)benzaldehyde
InChI:
InChI=1S/C12H15ClO2/c1-9(2)5-6-15-12-4-3-10(8-14)7-11(12)13/h3-4,7-9H,5-6H2,1-2H3
InChI Key:
GUCWBVNBFWASRZ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)Cl)OCCC(C)C
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.076g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.7g/mol
Monoisotopic Mass:
226.076g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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