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2-Chloro-1-iodo-4-(trifluoromethoxy)benzene

2-Chloro-1-iodo-4-(trifluoromethoxy)benzene - CAS 345226-19-9

Catalog:	BB022165
Product Name:	2-Chloro-1-iodo-4-(trifluoromethoxy)benzene
CAS:	345226-19-9
Synonyms:	2-chloro-1-iodo-4-(trifluoromethoxy)benzene; 2-chloro-1-iodo-4-(trifluoromethoxy)benzene

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-1-iodo-4-(trifluoromethoxy)benzene
Description:	2-Chloro-4-(trifluoromethoxy)iodobenzene, can be used in the synthesis of various chemical compounds, such as aza- and diazabiphenyl analogues having antitubercular activity.
Molecular Weight:	322.45
Molecular Formula:	C7H3ClF3IO
Canonical SMILES:	C1=CC(=C(C=C1OC(F)(F)F)Cl)I
InChI:	InChI=1S/C7H3ClF3IO/c8-5-3-4(1-2-6(5)12)13-7(9,10)11/h1-3H
InChI Key:	NFAJTTNPYSKSCV-UHFFFAOYSA-N
LogP:	3.84320

Publication Number	Title	Priority Date
WO-2021047622-A1	Pyridine oxynitride, preparation method therefor and use thereof	20190912
WO-2020083855-A1	Novel tricyclic compounds for the treatment and prophylaxis of hepatitis b virus disease	20181024
CN-112888480-A	Novel tricyclic compounds for the treatment and prevention of hepatitis b virus diseases	20181024
EP-3870295-A1	Novel tricyclic compounds for the treatment and prophylaxis of hepatitis b virus disease	20181024
CN-110117284-A	Nitrogen-containing hetero cyclics and its preparation method and application	20180206

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	321.88692
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	321.88692
Rotatable Bond Count:	1
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.4