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98299-14-0 | 1,3-Benzenedicarboxaldehyde, 5-chloro-2-methoxy-
CAS No: 98299-14-0 Catalog No: AG0068NR MDL No:MFCD24676942
Product Description
Catalog Number:
AG0068NR
Chemical Name:
1,3-Benzenedicarboxaldehyde, 5-chloro-2-methoxy-
CAS Number:
98299-14-0
Molecular Formula:
C9H7ClO3
Molecular Weight:
198.6031
MDL Number:
MFCD24676942
IUPAC Name:
5-chloro-2-methoxybenzene-1,3-dicarbaldehyde
InChI:
InChI=1S/C9H7ClO3/c1-13-9-6(4-11)2-8(10)3-7(9)5-12/h2-5H,1H3
InChI Key:
UQMOUTHOQIWVGE-UHFFFAOYSA-N
SMILES:
COc1c(C=O)cc(cc1C=O)Cl
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.008g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.602g/mol
Monoisotopic Mass:
198.008g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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