2-[(4-Bromo-2-nitrophenyl)(methyl)amino]ethanol - CAS 1249593-20-1

Catalog:	BB006027
Product Name:	2-[(4-Bromo-2-nitrophenyl)(methyl)amino]ethanol
CAS:	1249593-20-1
Synonyms:	2-(4-bromo-N-methyl-2-nitroanilino)ethanol; 2-(4-bromo-N-methyl-2-nitroanilino)ethanol

Technical Data

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Computed Properties

IUPAC Name:	2-(4-bromo-N-methyl-2-nitroanilino)ethanol
Description:	2-[(4-Bromo-2-nitrophenyl)(methyl)amino]ethanol (CAS# 1249593-20-1 ) is a useful research chemical.
Molecular Weight:	275.10
Molecular Formula:	C9H11BrN2O3
Canonical SMILES:	CN(CCO)C1=C(C=C(C=C1)Br)[N+](=O)[O-]
InChI:	InChI=1S/C9H11BrN2O3/c1-11(4-5-13)8-3-2-7(10)6-9(8)12(14)15/h2-3,6,13H,4-5H2,1H3
InChI Key:	FJVONVWURLPBSR-UHFFFAOYSA-N
LogP:	2.30900

Publication Number	Title	Priority Date
TW-202029963-A	1,2,3,4-tetrahydroquinoline derivatives and preparation method and application thereof	20190123
WO-2020151232-A1	1,2,3,4-tetrahydroquinoxaline derivative, preparation method therefor and application thereof	20190123
WO-2020151232-A9	1,2,3,4-tetrahydroquinoxaline derivative, preparation method therefor and application thereof	20190123
CN-112839931-A	1,2,3, 4-tetrahydroquinoxaline derivative and preparation method and application thereof	20190123
KR-20210081369-A	1,2,3,4-tetrahydroquinoxaline derivatives, preparation method and application thereof	20190123

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Complexity:	222
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	273.9953
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	273.9953
Rotatable Bond Count:	3
Topological Polar Surface Area:	69.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9