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13209-31-9 | 1,2-Benzenedicarboxaldehyde, 4-chloro-
CAS No: 13209-31-9 Catalog No: AG001075 MDL No:
Product Description
Catalog Number:
AG001075
Chemical Name:
1,2-Benzenedicarboxaldehyde, 4-chloro-
CAS Number:
13209-31-9
Molecular Formula:
C8H5ClO2
Molecular Weight:
168.5771
IUPAC Name:
4-chlorophthalaldehyde
InChI:
InChI=1S/C8H5ClO2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-5H
InChI Key:
HRMOFUIZGCUFKK-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Cl)ccc1C=O
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.998g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.576g/mol
Monoisotopic Mass:
167.998g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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