CS-1047706
tert-Butyl 4-iodo-3-oxo-2,3-dihydro-1H-pyrazole-1-carboxylate
Manufacturer: ChemScene
CAS Number: 3031038-80-6
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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
C₈H₁₁IN₂O₃
Molecular Weight
310.09
Synonyms
None
SMILES
O=C(N1NC(C(I)=C1)=O)OC(C)(C)C
Tpsa
64.09
Logp
1.5642
H Acceptors
4
H Donors
1
Rotatable Bonds
0
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: C₈H₁₁IN₂O₃
Molecular Weight: 310.09
Synonyms: None
SMILES: O=C(N1NC(C(I)=C1)=O)OC(C)(C)C
Tpsa: 64.09
Logp: 1.5642
H Acceptors: 4
H Donors: 1
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:
C₈H₁₁IN₂O₃
Molecular Weight:
310.09
Synonyms:
None
SMILES:
O=C(N1NC(C(I)=C1)=O)OC(C)(C)C
Tpsa:
64.09
Logp:
1.5642
H Acceptors:
4
H Donors:
1
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: C₇H₉N₃O₄S
Molecular Weight: 231.23
Synonyms: None
SMILES: COC1=C([N+]([O-])=O)C=CC(S(=O)(C)=N)=N1
Tpsa: 106.18
Logp: 1.03387
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₉N₃O₄S
Molecular Weight:
231.23
Synonyms:
None
SMILES:
COC1=C([N+]([O-])=O)C=CC(S(=O)(C)=N)=N1
Tpsa:
106.18
Logp:
1.03387
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₇BrN₂O₂S
Molecular Weight: 287.13
Synonyms: None
SMILES: O=C(C1=CC(SC(Br)=N2)=C2C=N1)OCC
Tpsa: 52.08
Logp: 2.6305
H Acceptors: 5
H Donors: 0
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:
C₉H₇BrN₂O₂S
Molecular Weight:
287.13
Synonyms:
None
SMILES:
O=C(C1=CC(SC(Br)=N2)=C2C=N1)OCC
Tpsa:
52.08
Logp:
2.6305
H Acceptors:
5
H Donors:
0
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: C₈H₁₂O₄
Molecular Weight: 172.18
Synonyms: None
SMILES: O=C(O)COCCCOCC#C
Tpsa: 55.76
Logp: 0.1275
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₂O₄
Molecular Weight:
172.18
Synonyms:
None
SMILES:
O=C(O)COCCCOCC#C
Tpsa:
55.76
Logp:
0.1275
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
7