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Ethyl 2-(3-Bromophenyl)-2,2-difluoroacetate

Ethyl 2-(3-Bromophenyl)-2,2-difluoroacetate - CAS 885068-75-7

Catalog:	BB038896
Product Name:	Ethyl 2-(3-Bromophenyl)-2,2-difluoroacetate
CAS:	885068-75-7
Synonyms:	2-(3-bromophenyl)-2,2-difluoroacetic acid ethyl ester; ethyl 2-(3-bromophenyl)-2,2-difluoroacetate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 2-(3-bromophenyl)-2,2-difluoroacetate
Description:	Ethyl 2-(3-Bromophenyl)-2,2-difluoroacetate (CAS# 885068-75-7) is a useful research chemical compound.
Molecular Weight:	279.08
Molecular Formula:	C10H9BrF2O2
Canonical SMILES:	CCOC(=O)C(C1=CC(=CC=C1)Br)(F)F
InChI:	InChI=1S/C10H9BrF2O2/c1-2-15-9(14)10(12,13)7-4-3-5-8(11)6-7/h3-6H,2H2,1H3
InChI Key:	UFCGWVQYBZHWTA-UHFFFAOYSA-N
LogP:	3.10400

Publication Number	Title	Priority Date
WO-2021130731-A1	Substituted tricyclic compounds	20191227
WO-2021105960-A1	Substituted tricyclic compounds	20191129
US-2021177851-A1	Novel benzylamino substituted quinazolines and derivatives as sos1 inhibitors	20161222
WO-2018118838-A1	Ceramide galactosyltransferase inhibitors for the treatment of disease	20161220
CA-2747932-A1	3-(3-pyrimidin-2-ylbenzyl)-1,2,4-triazolo[4,3-b]pyridazine derivatives	20081223

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Carbonyl Compounds

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[832741-29-4]
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	234
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	277.97540
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	277.97540
Rotatable Bond Count:	4
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5