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1000341-06-9 | Benzeneacetaldehyde, 2-chloro-4,6-dinitro-
CAS No: 1000341-06-9 Catalog No: AG0000G7 MDL No:
Product Description
Catalog Number:
AG0000G7
Chemical Name:
Benzeneacetaldehyde, 2-chloro-4,6-dinitro-
CAS Number:
1000341-06-9
Molecular Formula:
C8H5ClN2O5
Molecular Weight:
244.5887
IUPAC Name:
2-(2-chloro-4,6-dinitrophenyl)acetaldehyde
InChI:
InChI=1S/C8H5ClN2O5/c9-7-3-5(10(13)14)4-8(11(15)16)6(7)1-2-12/h2-4H,1H2
InChI Key:
VHPGCUJAFYIBJP-UHFFFAOYSA-N
SMILES:
O=CCc1c(Cl)cc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.989g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.587g/mol
Monoisotopic Mass:
243.989g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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