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Methyl 1-(2,2-difluoroethyl)-4-iodo-1H-pyrazole-3-carboxylate

Methyl 1-(2,2-difluoroethyl)-4-iodo-1H-pyrazole-3-carboxylate - CAS 1798775-93-5

Catalog:	BB050611
Product Name:	Methyl 1-(2,2-difluoroethyl)-4-iodo-1H-pyrazole-3-carboxylate
CAS:	1798775-93-5
Synonyms:	1-(2,2-Difluoro-ethyl)-4-iodo-1H-pyrazole-3-carboxylic acid methyl ester; 1H-Pyrazole-3-carboxylic acid, 1-(2,2-difluoroethyl)-4-iodo-, methyl ester

Technical Data

Computed Properties

IUPAC Name:	methyl 1-(2,2-difluoroethyl)-4-iodopyrazole-3-carboxylate
Molecular Weight:	316.04
Molecular Formula:	C7H7F2IN2O2
Canonical SMILES:	COC(=O)C1=NN(C=C1I)CC(F)F
InChI:	InChI=1S/C7H7F2IN2O2/c1-14-7(13)6-4(10)2-12(11-6)3-5(8)9/h2,5H,3H2,1H3
InChI Key:	IIWXKAOIRLDHEI-UHFFFAOYSA-N
Boiling Point:	317.0±42.0°C at 760 mmHg
Purity:	≥95%
Density:	2.0±0.1 g/cm3

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

Halides

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[111-85-3]
1-Chlorooctane
[199114-62-0]
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one

Pyrazoles

[890092-87-2]
(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[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
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole

Complexity:	218
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	315.95203
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	315.95203
Rotatable Bond Count:	4
Topological Polar Surface Area:	44.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9