4-Chloro-alpha-tosylbenzyl Isocyanide - CAS 918892-30-5

Catalog:	BB040375
Product Name:	4-Chloro-alpha-tosylbenzyl Isocyanide
CAS:	918892-30-5
Synonyms:	1-[(4-chlorophenyl)-isocyanomethyl]sulfonyl-4-methylbenzene; 1-[(4-chlorophenyl)-isocyanomethyl]sulfonyl-4-methylbenzene

Technical Data

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Computed Properties

IUPAC Name:	1-[(4-chlorophenyl)-isocyanomethyl]sulfonyl-4-methylbenzene
Description:	4-Chloro-alpha-tosylbenzyl Isocyanide (CAS# 918892-30-5) is a useful research chemical.
Molecular Weight:	305.78
Molecular Formula:	C15H12ClNO2S
Canonical SMILES:	CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=C(C=C2)Cl)[N+]#[C-]
InChI:	InChI=1S/C15H12ClNO2S/c1-11-3-9-14(10-4-11)20(18,19)15(17-2)12-5-7-13(16)8-6-12/h3-10,15H,1H3
InChI Key:	OPRPWPBVEQTKNY-UHFFFAOYSA-N
MDL:	MFCD04114779
LogP:	4.35170

Publication Number	Title	Priority Date
CA-3085967-A1	4-(1h-imidazol-5-yl)-1h-pyrrolo[2,3-b]pyridines for use in the treatment of leukaemias, lymphomas and solid tumors	20180329
CN-111936496-A	Use of 4- (1H-imidazol-5-yl) -1H-pyrrolo [2,3-B ] pyridine for the treatment of leukemias, lymphomas and solid tumors	20180329
KR-20200116137-A	4-(1H-imidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine for use in the treatment of leukemia, lymphoma and solid tumors	20180329
US-2021040086-A1	4-(1h- imidazol- 5- yl) -1h-pyrrolo [2, 3-b] pyridines for use in the treatment of leukaemias, lymphomas and solid tumors	20180329
EP-2968275-B1	Lxr modulators	20130315

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Complexity:	460
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	305.0277275
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	305.0277275
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.9
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6