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Structure

2-(Benzylthio)-5-nitrobenzonitrile

CAS
175135-67-8
Catalog Number
ACM175135678
Category
Other Products
Molecular Weight
270.306400 [g/mol]
Molecular Formula
C14H10N2O2S

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Specification

Synonyms
Maybridge1_001743, HMS546H05, MolPort-002-892-474, ZINC00093459, BTB 08186, CID706765, SR-01000642340-1, 175135-67-8
IUPAC Name
2-benzylsulfanyl-5-nitrobenzonitrile
Canonical SMILES
C1=CC=C(C=C1)CSC2=C(C=C(C=C2)[N+](=O)[O-])C#N
InChI Key
UVENNUQTKADSQA-UHFFFAOYSA-N
Boiling Point
438.6ºC at 760 mmHg
Flash Point
219.1ºC
Density
1.33g/cm³
Exact Mass
270.04600
H-Bond Acceptor
3
H-Bond Donor
0
Packing Group
III
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