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27590-75-6 | Benzaldehyde, 5-chloro-2-propoxy-
CAS No: 27590-75-6 Catalog No: AG002U6F MDL No:MFCD03422441
Product Description
Catalog Number:
AG002U6F
Chemical Name:
Benzaldehyde, 5-chloro-2-propoxy-
CAS Number:
27590-75-6
Molecular Formula:
C10H11ClO2
Molecular Weight:
198.6461
MDL Number:
MFCD03422441
IUPAC Name:
5-chloro-2-propoxybenzaldehyde
InChI:
InChI=1S/C10H11ClO2/c1-2-5-13-10-4-3-9(11)6-8(10)7-12/h3-4,6-7H,2,5H2,1H3
InChI Key:
CRZNXLNLEMYCCI-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1C=O)Cl
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:
2.9
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