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1000340-97-5

1000340-97-5 | Benzeneacetaldehyde, 4-chloro-2,6-dinitro-

CAS No: 1000340-97-5 Catalog No: AG0000F1 MDL No:

Product Description

Catalog Number:
AG0000F1
Chemical Name:
Benzeneacetaldehyde, 4-chloro-2,6-dinitro-
CAS Number:
1000340-97-5
Molecular Formula:
C8H5ClN2O5
Molecular Weight:
244.5887
IUPAC Name:
2-(4-chloro-2,6-dinitrophenyl)acetaldehyde
InChI:
InChI=1S/C8H5ClN2O5/c9-5-3-7(10(13)14)6(1-2-12)8(4-5)11(15)16/h2-4H,1H2
InChI Key:
CXQRNOJLAWQKJN-UHFFFAOYSA-N
SMILES:
O=CCc1c(cc(cc1[N+](=O)[O-])Cl)[N+](=O)[O-]

Properties

Complexity:
276  
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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