1-(2-chloro-3-fluorophenyl)methanamine - CAS 72235-54-2

Catalog:	BB034580
Product Name:	1-(2-chloro-3-fluorophenyl)methanamine
CAS:	72235-54-2
Synonyms:	(2-chloro-3-fluorophenyl)methanamine; (2-chloro-3-fluorophenyl)methanamine

Technical Data

Patents

Computed Properties

IUPAC Name:	(2-chloro-3-fluorophenyl)methanamine
Description:	1-(2-chloro-3-fluorophenyl)methanamine (CAS# 72235-54-2) is a useful research chemical.
Molecular Weight:	159.588
Molecular Formula:	C7H7ClFN
Canonical SMILES:	C1=CC(=C(C(=C1)F)Cl)CN
InChI:	InChI=1S/C7H7ClFN/c8-7-5(4-10)2-1-3-6(7)9/h1-3H,4,10H2
InChI Key:	DTNYGEBHHWVMBK-UHFFFAOYSA-N
Boiling Point:	216.5 °C at 760 mmHg
Density:	1.27 g/cm³
LogP:	2.63810

Publication Number	Title	Priority Date
US-2019308978-A1	Imidazopiperazinone inhibitors of transcription activating proteins	20180406
WO-2019195846-A1	Imidazopiperazinone inhibitors of transcription activating proteins	20180406
US-10899769-B2	Imidazopiperazinone inhibitors of transcription activating proteins	20180406
US-2019298729-A1	Imidazopiperazine inhibitors of transcription activating proteins	20180329
WO-2019191667-A1	Imidazopiperazine inhibitors of transcription activating proteins	20180329

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Complexity:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	159.0251051
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	159.0251051
Rotatable Bond Count:	1
Topological Polar Surface Area:	26
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5