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Home > Nitro Compounds > 379254-19-0
379254-19-0 | [(2-nitro-4-phenylphenyl)sulfanyl]formonitrile
CAS No: 379254-19-0 Catalog No: AG019P45 MDL No:MFCD03147216
Product Description
Catalog Number:
AG019P45
Chemical Name:
[(2-nitro-4-phenylphenyl)sulfanyl]formonitrile
CAS Number:
379254-19-0
Molecular Formula:
C13H8N2O2S
Molecular Weight:
256.2798
MDL Number:
MFCD03147216
IUPAC Name:
(2-nitro-4-phenylphenyl) thiocyanate
InChI:
InChI=1S/C13H8N2O2S/c14-9-18-13-7-6-11(8-12(13)15(16)17)10-4-2-1-3-5-10/h1-8H
InChI Key:
HJNSDHRPJWTPTO-UHFFFAOYSA-N
SMILES:
N#CSc1ccc(cc1[N+](=O)[O-])c1ccccc1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.031g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.279g/mol
Monoisotopic Mass:
256.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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