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114423-31-3 | Benzenepentanal, 3-chloro-
CAS No: 114423-31-3 Catalog No: AG000BB9 MDL No:
Product Description
Catalog Number:
AG000BB9
Chemical Name:
Benzenepentanal, 3-chloro-
CAS Number:
114423-31-3
Molecular Formula:
C11H13ClO
Molecular Weight:
196.6733
IUPAC Name:
5-(3-chlorophenyl)pentanal
InChI:
InChI=1S/C11H13ClO/c12-11-7-4-6-10(9-11)5-2-1-3-8-13/h4,6-9H,1-3,5H2
InChI Key:
MVFSDMBIQXFOPZ-UHFFFAOYSA-N
SMILES:
O=CCCCCc1cccc(c1)Cl
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.065g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.674g/mol
Monoisotopic Mass:
196.065g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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