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Home > Nitro Compounds > 306980-91-6
306980-91-6 | 2-[(4-methoxyphenyl)sulfanyl]-5-nitrobenzonitrile
CAS No: 306980-91-6 Catalog No: AG00IO07 MDL No:MFCD00793541
Product Description
Catalog Number:
AG00IO07
Chemical Name:
2-[(4-methoxyphenyl)sulfanyl]-5-nitrobenzonitrile
CAS Number:
306980-91-6
Molecular Formula:
C14H10N2O3S
Molecular Weight:
286.3058
MDL Number:
MFCD00793541
IUPAC Name:
2-(4-methoxyphenyl)sulfanyl-5-nitrobenzonitrile
InChI:
InChI=1S/C14H10N2O3S/c1-19-12-3-5-13(6-4-12)20-14-7-2-11(16(17)18)8-10(14)9-15/h2-8H,1H3
InChI Key:
HTTFLKUVSXOEFO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Sc1ccc(cc1C#N)[N+](=O)[O-]
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.041g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.305g/mol
Monoisotopic Mass:
286.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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