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1-(2-Chloro-6-fluorobenzyl)-1H-1,2,4-triazol-3-amine

1-(2-Chloro-6-fluorobenzyl)-1H-1,2,4-triazol-3-amine - CAS 832738-10-0

Catalog:	BB046456
Product Name:	1-(2-Chloro-6-fluorobenzyl)-1H-1,2,4-triazol-3-amine
CAS:	832738-10-0
Synonyms:	1-(2-Chloro-6-fluoro-benzyl)-1H-[1,2,4]triazol-3-ylamine

Technical Data

Computed Properties

IUPAC Name:	1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-amine
Description:	1-(2-Chloro-6-fluorobenzyl)-1H-1,2,4-triazol-3-amine (CAS# 832738-10-0 ) is a useful research chemical.
Molecular Weight:	226.64
Molecular Formula:	C9H8ClFN4
Canonical SMILES:	C1=CC(=C(C(=C1)Cl)CN2C=NC(=N2)N)F
InChI:	InChI=1S/C9H8ClFN4/c10-7-2-1-3-8(11)6(7)4-15-5-13-9(12)14-15/h1-3,5H,4H2,(H2,12,14)
InChI Key:	KDFPXBZARAYDLS-UHFFFAOYSA-N
Boiling Point:	416.1±55.0 °C at 760 mmHg
Density:	1.5±0.1 g/cm³

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

Halides

[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[444581-46-8]
1-Bromo-2-(1,1-difluoroethyl)benzene
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride
[73084-03-4]
2,4-di-tert-butyl-6-chloro-1,3,5-triazine
[4185-62-0]
2-Bromo-1-nitronaphthalene

Triazole/Tetrazole

[1415314-22-5]
6-Chloro-8-iodo-[1,2,4]triazolo[1,5-a]pyridine
[1823783-63-6]
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)acetate
[1823829-53-3]
Ethyl 2-(5-chloro-1H-1,2,4-triazol-1-yl)propanoate
[1823842-92-7]
Ethyl 4-(5-chloro-1H-1,2,4-triazol-1-yl)butanoate
[1823782-28-0]
2-[2-(propan-2-yl)-2H-1,2,3-triazol-4-yl]acetic acid
[494194-50-2]
5-(4-Bromophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol

Complexity:	218
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	226.0421521
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	226.0421521
Rotatable Bond Count:	2
Topological Polar Surface Area:	56.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2