3-Bromo-2-methylanisole - CAS 31804-36-1

Catalog:	BB021067
Product Name:	3-Bromo-2-methylanisole
CAS:	31804-36-1
Synonyms:	1-bromo-3-methoxy-2-methylbenzene; 1-bromo-3-methoxy-2-methylbenzene

Technical Data

Patents

Computed Properties

IUPAC Name:	1-bromo-3-methoxy-2-methylbenzene
Description:	3-Bromo-2-methylanisole (CAS# 31804-36-1) is a useful research chemical.
Molecular Weight:	201.06
Molecular Formula:	C8H9BrO
Canonical SMILES:	CC1=C(C=CC=C1Br)OC
InChI:	InChI=1S/C8H9BrO/c1-6-7(9)4-3-5-8(6)10-2/h3-5H,1-2H3
InChI Key:	SBMVNLFBEJAXFY-UHFFFAOYSA-N
Boiling Point:	217 °C at 760 mmHg
Density:	1.378 g/cm³
MDL:	MFCD11100991
LogP:	2.76610

Publication Number	Title	Priority Date
WO-2021043322-A1	Azepino pyrimidine derivatives and medical use thereof	20190906
CN-111138412-A	Spiro aromatic ring compound and application thereof	20181106
WO-2020094018-A1	Spiro aromatic ring compound and application thereof	20181106
CN-111566104-A	Spiro aromatic ring compound and application thereof	20181106
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Related Functional Groups

Halides

[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[444581-46-8]
1-Bromo-2-(1,1-difluoroethyl)benzene
[1431966-58-3]
2,2-Difluoro-N-(2-morpholin-4-ylethyl)ethanamine dihydrochloride

Complexity:	105
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.98368
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	199.98368
Rotatable Bond Count:	1
Topological Polar Surface Area:	9.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6