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23165-64-2 | Benzene, 2-chloro-1-isothiocyanato-4-nitro-
CAS No: 23165-64-2 Catalog No: AG002MG1 MDL No:MFCD00041244
Product Description
Catalog Number:
AG002MG1
Chemical Name:
Benzene, 2-chloro-1-isothiocyanato-4-nitro-
CAS Number:
23165-64-2
Molecular Formula:
C7H3ClN2O2S
Molecular Weight:
214.6289
MDL Number:
MFCD00041244
IUPAC Name:
2-chloro-1-isothiocyanato-4-nitrobenzene
InChI:
InChI=1S/C7H3ClN2O2S/c8-6-3-5(10(11)12)1-2-7(6)9-4-13/h1-3H
InChI Key:
JSYNALWWKRNZDX-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1Cl)[N+](=O)[O-]
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.96g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.623g/mol
Monoisotopic Mass:
213.96g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
90.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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