N-Boc-4-bromo-2-fluoroaniline - CAS 209958-42-9

Catalog:	BB016521
Product Name:	N-Boc-4-bromo-2-fluoroaniline
CAS:	209958-42-9
Synonyms:	N-(4-bromo-2-fluorophenyl)carbamic acid tert-butyl ester; tert-butyl N-(4-bromo-2-fluorophenyl)carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-(4-bromo-2-fluorophenyl)carbamate
Description:	N-Boc-4-bromo-2-fluoroaniline (CAS# 209958-42-9) is a useful research chemical.
Molecular Weight:	290.13
Molecular Formula:	C11H13BrFNO2
Canonical SMILES:	CC(C)(C)OC(=O)NC1=C(C=C(C=C1)Br)F
InChI:	InChI=1S/C11H13BrFNO2/c1-11(2,3)16-10(15)14-9-5-4-7(12)6-8(9)13/h4-6H,1-3H3,(H,14,15)
InChI Key:	DMHILFAMOKMHSO-UHFFFAOYSA-N
Boiling Point:	272.239 °C at 760 mmHg
Density:	1.459 g/cm³
MDL:	MFCD07369884
LogP:	4.00820

Publication Number	Title	Priority Date
WO-2020206588-A1	Benzethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof	20190408
WO-2020207414-A1	Benzethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof	20190408
WO-2020159285-A1	Imidazopyridine derivative compounds and use of same	20190201
KR-20200096157-A	Imidazopyridine derivative compound and use thereof	20190201
CA-3127993-A1	Imidazopyridine derivative compounds and use of same	20190201

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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:	255
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	289.01137
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	289.01137
Rotatable Bond Count:	3
Topological Polar Surface Area:	38.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4