tert-Butyl 4-Bromo-2-nitrobenzoate - CAS 890315-72-7

Name: tert-Butyl 4-Bromo-2-nitrobenzoate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB039327
Product Name:	tert-Butyl 4-Bromo-2-nitrobenzoate
CAS:	890315-72-7
Synonyms:	4-bromo-2-nitrobenzoic acid tert-butyl ester; tert-butyl 4-bromo-2-nitrobenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl 4-bromo-2-nitrobenzoate
Description:	tert-Butyl 4-Bromo-2-nitrobenzoate (CAS# 890315-72-7) is a useful research chemical.
Molecular Weight:	302.12
Molecular Formula:	C11H12BrNO4
Canonical SMILES:	CC(C)(C)OC(=O)C1=C(C=C(C=C1)Br)[N+](=O)[O-]
InChI:	InChI=1S/C11H12BrNO4/c1-11(2,3)17-10(14)8-5-4-7(12)6-9(8)13(15)16/h4-6H,1-3H3
InChI Key:	WFQHGCOHRFRRHU-UHFFFAOYSA-N
Boiling Point:	353.5 °C at 760 mmHg
Density:	1.474 g/cm³
LogP:	3.83580

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[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
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]C6H2Cl2O4
Chloranilic acid
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate

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Complexity:	308
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	300.99497
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	300.99497
Rotatable Bond Count:	3
Topological Polar Surface Area:	72.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5