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606-31-5 | 2,6-Dinitrobenzaldehyde
CAS No: 606-31-5 Catalog No: AG003G5Y MDL No:MFCD00007133
Product Description
Catalog Number:
AG003G5Y
Chemical Name:
2,6-Dinitrobenzaldehyde
CAS Number:
606-31-5
Molecular Formula:
C7H4N2O5
Molecular Weight:
196.1171
MDL Number:
MFCD00007133
IUPAC Name:
2,6-dinitrobenzaldehyde
InChI:
InChI=1S/C7H4N2O5/c10-4-5-6(8(11)12)2-1-3-7(5)9(13)14/h1-4H
InChI Key:
WHFZQNNDIJKLIO-UHFFFAOYSA-N
SMILES:
O=Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]
EC Number:
210-113-9
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.012g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.118g/mol
Monoisotopic Mass:
196.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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