CS-0835571
5-Acetyl-4-iodo-1H-pyrazole-3-carbonitrile
Manufacturer: ChemScene
CAS Number: 2883431-46-5
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₆H₄IN₃O
Molecular Weight
261.02
Synonyms
None
SMILES
N#CC1=NNC(C(C)=O)=C1I
Tpsa
69.54
Logp
1.08858
H Acceptors
3
H Donors
1
Rotatable Bonds
1
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₄IN₃O
Molecular Weight: 261.02
Synonyms: None
SMILES: N#CC1=NNC(C(C)=O)=C1I
Tpsa: 69.54
Logp: 1.08858
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₄IN₃O
Molecular Weight:
261.02
Synonyms:
None
SMILES:
N#CC1=NNC(C(C)=O)=C1I
Tpsa:
69.54
Logp:
1.08858
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₁F₃N₂O₃
Molecular Weight: 300.23
Synonyms: None
SMILES: O=C(C1=NNC(OCC2=CC=CC=C2)=C1C(F)(F)F)OC
Tpsa: 64.21
Logp: 2.7941
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₁F₃N₂O₃
Molecular Weight:
300.23
Synonyms:
None
SMILES:
O=C(C1=NNC(OCC2=CC=CC=C2)=C1C(F)(F)F)OC
Tpsa:
64.21
Logp:
2.7941
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₆F₃IN₂O₂
Molecular Weight: 334.03
Synonyms: None
SMILES: O=C(C1=NNC(C(F)(F)F)=C1I)OCC
Tpsa: 54.98
Logp: 2.2098
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₆F₃IN₂O₂
Molecular Weight:
334.03
Synonyms:
None
SMILES:
O=C(C1=NNC(C(F)(F)F)=C1I)OCC
Tpsa:
54.98
Logp:
2.2098
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₇BrO
Molecular Weight: 211.06
Synonyms: None
SMILES: BrC1=C(C)C2=C(C=CO2)C=C1
Tpsa: 13.14
Logp: 3.50372
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₇BrO
Molecular Weight:
211.06
Synonyms:
None
SMILES:
BrC1=C(C)C2=C(C=CO2)C=C1
Tpsa:
13.14
Logp:
3.50372
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
0