5-(tert-Butyl)-2-nitrobenzoic Acid - CAS 60772-71-6

Catalog:	BB030805
Product Name:	5-(tert-Butyl)-2-nitrobenzoic Acid
CAS:	60772-71-6
Synonyms:	5-tert-butyl-2-nitrobenzoic acid; 5-tert-butyl-2-nitrobenzoic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	5-tert-butyl-2-nitrobenzoic acid
Description:	5-(tert-Butyl)-2-nitrobenzoic Acid (CAS# 60772-71-6 ) is a useful research chemical.
Molecular Weight:	223.23
Molecular Formula:	C11H13NO4
Canonical SMILES:	CC(C)(C)C1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O
InChI:	InChI=1S/C11H13NO4/c1-11(2,3)7-4-5-9(12(15)16)8(6-7)10(13)14/h4-6H,1-3H3,(H,13,14)
InChI Key:	BUXLVYHCPFRRFR-UHFFFAOYSA-N
LogP:	3.11370

Publication Number	Title	Priority Date
US-2014206903-A1	Novelcrosslinking reagents, macromolecules, therapeutic conjugates, and synthetic methods thereof	20110719
US-2017065726-A1	Novel crosslinking reagents, macromolecules, therapeutic bioconjugates, and synthetic methods thereof	20110719
US-8907079-B2	Crosslinking reagents, macromolecules, therapeutic conjugates, and synthetic methods thereof	20110719
US-9511150-B2	Crosslinking reagents, macromolecules, therapeutic bioconjugates, and synthetic methods thereof	20110719
US-9907854-B2	Crosslinking reagents, macromolecules, therapeutic bioconjugates, and synthetic methods thereof	20110719

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Complexity:	289
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.0844579
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	223.0844579
Rotatable Bond Count:	2
Topological Polar Surface Area:	83.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1