5-Bromo-4-methyl-2-nitroaniline - CAS 40371-63-9

Catalog:	BB024474
Product Name:	5-Bromo-4-methyl-2-nitroaniline
CAS:	40371-63-9
Synonyms:	5-bromo-4-methyl-2-nitroaniline; 5-bromo-4-methyl-2-nitroaniline

Technical Data

Patents

Computed Properties

IUPAC Name:	5-bromo-4-methyl-2-nitroaniline
Description:	5-Bromo-4-methyl-2-nitroaniline (CAS# 40371-63-9) is a useful research chemical.
Molecular Weight:	231.05
Molecular Formula:	C7H7BrN2O2
Canonical SMILES:	CC1=CC(=C(C=C1Br)N)[N+](=O)[O-]
InChI:	InChI=1S/C7H7BrN2O2/c1-4-2-7(10(11)12)6(9)3-5(4)8/h2-3H,9H2,1H3
InChI Key:	CEVXSOYABRHNEK-UHFFFAOYSA-N
MDL:	MFCD00156314
LogP:	3.35230

Publication Number	Title	Priority Date
CN-104370822-A	Preparation method of bromo-substituted benzimidazole derivative	20141027
US-2017183315-A1	Selective inhibitors interfering with fibroblast growth factor receptor and frs2 interaction for the prevention and treatment of cancer and other diseases	20140522
US-9957236-B2	Selective inhibitors interfering with fibroblast growth factor receptor and FRS2 interaction for the prevention and treatment of cancer and other diseases	20140522
EP-2555623-A1	Flavin derivatives	20100406
JP-2013523811-A	Flavin derivatives	20100406

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Complexity:	183
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	229.96909
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	229.96909
Rotatable Bond Count:	0
Topological Polar Surface Area:	71.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7