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Home > Aldehydes > 827593-20-4
827593-20-4 | 5-CHLORO-2-ISOPROPOXY-3-METHOXYBENZALDEHYDE
CAS No: 827593-20-4 Catalog No: AG004Z0I MDL No:MFCD04129270
Product Description
Catalog Number:
AG004Z0I
Chemical Name:
5-CHLORO-2-ISOPROPOXY-3-METHOXYBENZALDEHYDE
CAS Number:
827593-20-4
Molecular Formula:
C11H13ClO3
Molecular Weight:
228.6721
MDL Number:
MFCD04129270
IUPAC Name:
5-chloro-3-methoxy-2-propan-2-yloxybenzaldehyde
InChI:
InChI=1S/C11H13ClO3/c1-7(2)15-11-8(6-13)4-9(12)5-10(11)14-3/h4-7H,1-3H3
InChI Key:
ZWOOAUXTBHPQPI-UHFFFAOYSA-N
SMILES:
COc1cc(Cl)cc(c1OC(C)C)C=O
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.055g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.672g/mol
Monoisotopic Mass:
228.055g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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