Heat(Pressure) Sensitive Scarlet TF-R2 - CAS 21121-62-0

Catalog:	BB044208
Product Name:	Heat(Pressure) Sensitive Scarlet TF-R2
CAS:	21121-62-0
Synonyms:	Spiro(isobenzofuran-1(3H), 9'-(9H)xanthen)-3-one, 2'-chloro-6'-(diethylamino)-3'-methyl-; 3-Diethylamino-6-methyl-7-chlorofluoran

Technical Data

Computed Properties

IUPAC Name:	2'-chloro-6'-(diethylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
Description:	Heat(Pressure) Sensitive Scarlet TF-R2 is a useful research chemical.
Molecular Weight:	419.9
Molecular Formula:	C25H22ClNO3
Canonical SMILES:	CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=C(C(=C5)Cl)C
InChI:	InChI=1S/C25H22ClNO3/c1-4-27(5-2)16-10-11-19-23(13-16)29-22-12-15(3)21(26)14-20(22)25(19)18-9-7-6-8-17(18)24(28)30-25/h6-14H,4-5H2,1-3H3
InChI Key:	HUOKHAMXPNSWBJ-UHFFFAOYSA-N

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Related Functional Groups

Amines and Anilines

[556-90-1]
Pseudothiohydantoin
[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1550-50-1]
1,1,2,2-Tetrafluoro-N,N-dimethylethanamine
[1951441-75-0]
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride

Benzofuran/Benzothiophene

[20532-34-7]
1-benzothiophen-5-ylmethanol
[328270-02-6]
2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
[335671-77-7]
7-Bromo-2,3-dihydrobenzofuran-5-carboxylic acid
[7311-95-7]
Ethyl-2-amino-benzo(b)thiophene-3-carboxylate
[1427556-50-0]
N-(9,9-Dimethyl-9H-fluoren-2-yl)dibenzo[b,d]furan-3-amine
N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-amine

Halides

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[134005-20-2]
(Z)-1,3-Diiodo-2-butene
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[444581-46-8]
1-Bromo-2-(1,1-difluoroethyl)benzene

Spiro Compounds

[2202297-92-3]
3,3-Difluoro-1-azaspiro[3.4]octane hydrochloride
[1190861-43-8]
6-Bromo-2',3',5',6'-tetrahydrospiro[indoline-3,4'-pyran]-2-one
[659736-46-6]
3',4'-DIHYDRO-6'-BROMO-SPIRO[IMIDAZOLIDINE-4,2(1'H)-NAPHTHALENE]-2,5-DIONE
[364606-20-2]
2-Mercapto-3-propyl-1,3-diazaspiro[4.5]dec-1-en-4-one
[952480-32-9]
2-(3-(tert-Butoxycarbonyl)-3-azaspiro[5.5]undecan-9-yl)acetic acid
[1357353-90-2]
tert-butyl 1-(hydroxymethyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

Complexity:	654
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	419.1288213
Formal Charge:	0
Heavy Atom Count:	30
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	419.1288213
Rotatable Bond Count:	3
Topological Polar Surface Area:	38.8
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	6