N-Boc-4-methyl-3-nitroaniline - CAS 630410-29-6

Name: N-Boc-4-methyl-3-nitroaniline
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB031961
Product Name:	N-Boc-4-methyl-3-nitroaniline
CAS:	630410-29-6
Synonyms:	N-(4-methyl-3-nitrophenyl)carbamic acid tert-butyl ester; tert-butyl N-(4-methyl-3-nitrophenyl)carbamate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl N-(4-methyl-3-nitrophenyl)carbamate
Description:	N-Boc-4-methyl-3-nitroaniline (CAS# 630410-29-6 ) is a useful research chemical.
Molecular Weight:	252.27
Molecular Formula:	C12H16N2O4
Canonical SMILES:	CC1=C(C=C(C=C1)NC(=O)OC(C)(C)C)[N+](=O)[O-]
InChI:	InChI=1S/C12H16N2O4/c1-8-5-6-9(7-10(8)14(16)17)13-11(15)18-12(2,3)4/h5-7H,1-4H3,(H,13,15)
InChI Key:	OYZZRHITGOKJDR-UHFFFAOYSA-N
LogP:	3.78700

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Related Functional Groups

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Publication Number	Title	Priority Date
CN-112830920-A	Heterocyclic derivative, pharmaceutical composition and application thereof	20191125
WO-2021104256-A1	Heterocyclic derivative, pharmaceutical composition thereof and use thereof	20191125
AU-2014330940-A1	Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor 1	20131004
AU-2014330940-B2	Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor 1	20131004
CA-2925182-A1	Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor 1	20131004

Complexity:	319
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	252.111007
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	252.111007
Rotatable Bond Count:	3
Topological Polar Surface Area:	84.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3