2-bromo-4-methoxy-6-methylaniline - CAS 1100394-71-5

Catalog:	BB002584
Product Name:	2-bromo-4-methoxy-6-methylaniline
CAS:	1100394-71-5
Synonyms:	2-bromo-4-methoxy-6-methylaniline; 2-bromo-4-methoxy-6-methylaniline

Technical Data

Patents

Computed Properties

IUPAC Name:	2-bromo-4-methoxy-6-methylaniline
Description:	2-bromo-4-methoxy-6-methylaniline (CAS# 1100394-71-5) is a useful research chemical.
Molecular Weight:	216.078
Molecular Formula:	C8H10BrNO
Canonical SMILES:	CC1=CC(=CC(=C1N)Br)OC
InChI:	InChI=1S/C8H10BrNO/c1-5-3-6(11-2)4-7(9)8(5)10/h3-4H,10H2,1-2H3
InChI Key:	HCOQQRSOSIHZAS-UHFFFAOYSA-N
Storage:	Keep in dark place, Sealed in dry, Room Temperature
MDL:	MFCD28098569
LogP:	2.92950

Publication Number	Title	Priority Date
WO-2021202977-A1	Pyrrolopyrimidine amines as complement inhibitors	20200403
CN-108341774-A	Substituted quinolinones inhibitor	20170125
US-2009018132-A1	Substituted Heterocyclic Ethers and Their Use in CNS Disorders	20070711
US-8026257-B2	Substituted heterocyclic ethers and their use in CNS disorders	20070711
WO-2009009411-A1	Substituted heterocyclic ethers and their use in cns disorders	20070711

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Complexity:	131
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.99458
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	214.99458
Rotatable Bond Count:	1
Topological Polar Surface Area:	35.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3