4-Chloro-8-fluoro-2-methylquinoline - CAS 18615-59-3

Catalog:	BB014277
Product Name:	4-Chloro-8-fluoro-2-methylquinoline
CAS:	18615-59-3
Synonyms:	4-chloro-8-fluoro-2-methylquinoline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-chloro-8-fluoro-2-methylquinoline
Description:	4-Chloro-8-fluoro-2-methylquinoline (CAS# 18615-59-3) is a useful research chemical.
Molecular Weight:	195.62
Molecular Formula:	C10H7ClFN
Canonical SMILES:	CC1=NC2=C(C=CC=C2F)C(=C1)Cl
InChI:	InChI=1S/C10H7ClFN/c1-6-5-8(11)7-3-2-4-9(12)10(7)13-6/h2-5H,1H3
InChI Key:	PKLIYBDVJXLAHP-UHFFFAOYSA-N
Boiling Point:	269.9 °C at 760 mmHg
Density:	1.311 g/cm³
Appearance:	Powder
MDL:	MFCD00272335
LogP:	3.33570

Publication Number	Title	Priority Date
US-2020131148-A1	Pyrimidine tricyclic enone derivatives for inhibition of ror-gamma and other uses	20161216
WO-2018111315-A1	PYRIMIDINE TRICYCLIC ENONE DERIVATIVES FOR INHIBITION OF RORÎ³ AND OTHER USES	20161216
EP-3246028-A1	Quinoline compounds for increasing insuline release	20160518
WO-2017198756-A1	Quinoline compounds for increasing insuline release	20160518
CA-2691450-A1	4-benzylaminoquinolines, pharmaceutical compositions containing them, and their use in therapy	20070822

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GHS Hazard Statement:	H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501
Signal Word:	Danger

Complexity:	188
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.0251051
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	195.0251051
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3