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82330-54-9 | Benzaldehyde,2-chloro-3,4-dimethoxy-6-nitro-
CAS No: 82330-54-9 Catalog No: AG008KKP MDL No:
Product Description
Catalog Number:
AG008KKP
Chemical Name:
Benzaldehyde,2-chloro-3,4-dimethoxy-6-nitro-
CAS Number:
82330-54-9
Molecular Formula:
C9H8ClNO5
Molecular Weight:
245.6165
IUPAC Name:
2-chloro-3,4-dimethoxy-6-nitrobenzaldehyde
InChI:
InChI=1S/C9H8ClNO5/c1-15-7-3-6(11(13)14)5(4-12)8(10)9(7)16-2/h3-4H,1-2H3
InChI Key:
ADCFAHQRUIOIOM-UHFFFAOYSA-N
SMILES:
COc1cc([N+](=O)[O-])c(c(c1OC)Cl)C=O
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.009g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.615g/mol
Monoisotopic Mass:
245.009g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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