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Home > Nitro Compounds > 71215-88-8
71215-88-8 | 4-METHYL-2-NITROPHENYLTHIOCYANATE
CAS No: 71215-88-8 Catalog No: AG005K97 MDL No:
Product Description
Catalog Number:
AG005K97
Chemical Name:
4-METHYL-2-NITROPHENYLTHIOCYANATE
CAS Number:
71215-88-8
Molecular Formula:
C8H6N2O2S
Molecular Weight:
194.2104
IUPAC Name:
(4-methyl-2-nitrophenyl) thiocyanate
InChI:
InChI=1S/C8H6N2O2S/c1-6-2-3-8(13-5-9)7(4-6)10(11)12/h2-4H,1H3
InChI Key:
FOUCYKKDWSELGL-UHFFFAOYSA-N
SMILES:
N#CSc1ccc(cc1[N+](=O)[O-])C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.015g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.208g/mol
Monoisotopic Mass:
194.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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