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99070-71-0 | Benzaldehyde, 3-chloro-4-propoxy-
CAS No: 99070-71-0 Catalog No: AG005T8A MDL No:MFCD06246436
Product Description
Catalog Number:
AG005T8A
Chemical Name:
Benzaldehyde, 3-chloro-4-propoxy-
CAS Number:
99070-71-0
Molecular Formula:
C10H11ClO2
Molecular Weight:
198.6461
MDL Number:
MFCD06246436
IUPAC Name:
3-chloro-4-propoxybenzaldehyde
InChI:
InChI=1S/C10H11ClO2/c1-2-5-13-10-4-3-8(7-12)6-9(10)11/h3-4,6-7H,2,5H2,1H3
InChI Key:
GCUFCLHWCSRRFY-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1Cl)C=O
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.045g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.646g/mol
Monoisotopic Mass:
198.045g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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