4-Nitrobenzyl bromoacetate - CAS 16869-24-2

Name: 4-Nitrobenzyl bromoacetate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB012488
Product Name:	4-Nitrobenzyl bromoacetate
CAS:	16869-24-2
Synonyms:	(4-nitrophenyl)methyl 2-bromoacetate

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Computed Properties

IUPAC Name:	(4-nitrophenyl)methyl 2-bromoacetate
Description:	4-Nitrobenzyl bromoacetate (CAS# 16869-24-2) is a useful research chemical.
Molecular Weight:	274.07
Molecular Formula:	C9H8BrNO4
Canonical SMILES:	C1=CC(=CC=C1COC(=O)CBr)[N+](=O)[O-]
InChI:	InChI=1S/C9H8BrNO4/c10-5-9(12)15-6-7-1-3-8(4-2-7)11(13)14/h1-4H,5-6H2
InChI Key:	ADHFTAKIDKDGBV-UHFFFAOYSA-N
Boiling Point:	105-106 °C / 5 mmHg
Melting Point:	48-50 °C
Purity:	95 %
Density:	1.638 g/cm³
MDL:	MFCD00051838
LogP:	2.55610

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[87-88-7]C6H2Cl2O4
Chloranilic acid
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

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GHS Hazard Statement:	H302 (90.48%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
JP-2015063503-A	Compound having a binding site of radioactive technetium and radioactive technetium complex thereof	20130830
CN-103012471-A	Method for preparing key intermediate of beta-methylcarbapenem antibiotic	20121217
EP-2431362-A1	3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof	20090514
US-2012059012-A1	3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof	20090514
US-8883824-B2	3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof	20090514

Complexity:	233
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	272.96367
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	272.96367
Rotatable Bond Count:	4
Topological Polar Surface Area:	72.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5