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Home > Aldehydes > 881688-60-4
881688-60-4 | Benzaldehyde, 2,4-dinitro-6-[(phenylmethyl)thio]-
CAS No: 881688-60-4 Catalog No: AG004FJP MDL No:
Product Description
Catalog Number:
AG004FJP
Chemical Name:
Benzaldehyde, 2,4-dinitro-6-[(phenylmethyl)thio]-
CAS Number:
881688-60-4
Molecular Formula:
C14H10N2O5S
Molecular Weight:
318.3046
IUPAC Name:
2-benzylsulfanyl-4,6-dinitrobenzaldehyde
InChI:
InChI=1S/C14H10N2O5S/c17-8-12-13(16(20)21)6-11(15(18)19)7-14(12)22-9-10-4-2-1-3-5-10/h1-8H,9H2
InChI Key:
HPSKSGPMSCKRJD-UHFFFAOYSA-N
SMILES:
O=Cc1c(SCc2ccccc2)cc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.031g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.303g/mol
Monoisotopic Mass:
318.031g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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