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205676-17-1 | Propanedial, 2-(4-chlorophenyl)-
CAS No: 205676-17-1 Catalog No: AG002A9W MDL No:MFCD00216505
Product Description
Catalog Number:
AG002A9W
Chemical Name:
Propanedial, 2-(4-chlorophenyl)-
CAS Number:
205676-17-1
Molecular Formula:
C9H7ClO2
Molecular Weight:
182.6037
MDL Number:
MFCD00216505
IUPAC Name:
2-(4-chlorophenyl)propanedial
InChI:
InChI=1S/C9H7ClO2/c10-9-3-1-7(2-4-9)8(5-11)6-12/h1-6,8H
InChI Key:
BNSJYXRISGHNPY-UHFFFAOYSA-N
SMILES:
O=CC(c1ccc(cc1)Cl)C=O
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.013g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.603g/mol
Monoisotopic Mass:
182.013g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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