4-(Boc-amino)-3-fluorobenzaldehyde - CAS 865450-09-5

Catalog:	BB037981
Product Name:	4-(Boc-amino)-3-fluorobenzaldehyde
CAS:	865450-09-5
Synonyms:	N-(2-fluoro-4-formylphenyl)carbamic acid tert-butyl ester; tert-butyl N-(2-fluoro-4-formylphenyl)carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-(2-fluoro-4-formylphenyl)carbamate
Description:	4-(Boc-amino)-3-fluorobenzaldehyde (CAS# 865450-09-5) is a useful research chemical.
Molecular Weight:	239.24
Molecular Formula:	C12H14FNO3
Canonical SMILES:	CC(C)(C)OC(=O)NC1=C(C=C(C=C1)C=O)F
InChI:	InChI=1S/C12H14FNO3/c1-12(2,3)17-11(16)14-10-5-4-8(7-15)6-9(10)13/h4-7H,1-3H3,(H,14,16)
InChI Key:	QQWNYOVSVMTGAY-UHFFFAOYSA-N
Boiling Point:	288.9 °C at 760 mmHg
Density:	1.231 g/cm³
LogP:	3.05820

Publication Number	Title	Priority Date
EP-2558577-A1	Bi-functional complexes and methods for making and using such complexes	20100416
WO-2011127933-A1	Bi-functional complexes and methods for making and using such complexes	20100416
EA-018703-B1	COMPOUNDS AND COMPOSITIONS AS GPR119 ACTIVITY MODULATORS	20080407
US-2011263557-A1	Compounds and compositions as modulators of gpr119 activity	20080407
WO-2009126535-A1	Compounds and compositions as modulators of gpr119 activity	20080407

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	288
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.09577147
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	239.09577147
Rotatable Bond Count:	4
Topological Polar Surface Area:	55.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1