Home Aldehydes 2-Chloroisophthalaldehyde

2-Chloroisophthalaldehyde

CAS No.:
170879-73-9
Catalog Number:
AG00785U
Molecular Formula:
C8H5ClO2
Molecular Weight:
168.5771
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Product Description
Catalog Number:
AG00785U
Chemical Name:
2-Chloroisophthalaldehyde
CAS Number:
170879-73-9
Molecular Formula:
C8H5ClO2
Molecular Weight:
168.5771
MDL Number:
MFCD11977369
IUPAC Name:
2-chlorobenzene-1,3-dicarbaldehyde
InChI:
InChI=1S/C8H5ClO2/c9-8-6(4-10)2-1-3-7(8)5-11/h1-5H
InChI Key:
FCORNWNKZWNPOX-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1Cl)C=O
Properties
Complexity:
142  
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  
Properties