CS-0646961
1,1-Dimethylethyl 5-bromo-3-[[(1,1-dimethylethoxy)carbonyl]amino]-1H-pyrazole-1-carboxylate
Manufacturer: ChemScene
CAS Number: 2364326-30-5
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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
C₁₃H₂₀BrN₃O₄
Molecular Weight
362.22
Synonyms
None
SMILES
O=C(N1N=C(NC(OC(C)(C)C)=O)C=C1Br)OC(C)(C)C
Tpsa
82.45
Logp
3.7758
H Acceptors
6
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: C₁₃H₂₀BrN₃O₄
Molecular Weight: 362.22
Synonyms: None
SMILES: O=C(N1N=C(NC(OC(C)(C)C)=O)C=C1Br)OC(C)(C)C
Tpsa: 82.45
Logp: 3.7758
H Acceptors: 6
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:
C₁₃H₂₀BrN₃O₄
Molecular Weight:
362.22
Synonyms:
None
SMILES:
O=C(N1N=C(NC(OC(C)(C)C)=O)C=C1Br)OC(C)(C)C
Tpsa:
82.45
Logp:
3.7758
H Acceptors:
6
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: C₆H₇BrN₂S
Molecular Weight: 219.10
Synonyms: None
SMILES: BrC1=NN=C(C2CCC2)S1
Tpsa: 25.78
Logp: 2.5681
H Acceptors: 3
H Donors: 0
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:
C₆H₇BrN₂S
Molecular Weight:
219.10
Synonyms:
None
SMILES:
BrC1=NN=C(C2CCC2)S1
Tpsa:
25.78
Logp:
2.5681
H Acceptors:
3
H Donors:
0
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: C₁₀H₉Br₂FO₂
Molecular Weight: 339.98
Synonyms: None
SMILES: O=C(OCC)C1=CC(Br)=CC(F)=C1CBr
Tpsa: 26.3
Logp: 3.6598
H Acceptors: 2
H Donors: 0
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:
C₁₀H₉Br₂FO₂
Molecular Weight:
339.98
Synonyms:
None
SMILES:
O=C(OCC)C1=CC(Br)=CC(F)=C1CBr
Tpsa:
26.3
Logp:
3.6598
H Acceptors:
2
H Donors:
0
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: C₅H₅BrN₂O₂S
Molecular Weight: 237.07
Synonyms: None
SMILES: O=C(O)CCC1=NN=C(Br)S1
Tpsa: 63.08
Logp: 1.3178
H Acceptors: 4
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:
C₅H₅BrN₂O₂S
Molecular Weight:
237.07
Synonyms:
None
SMILES:
O=C(O)CCC1=NN=C(Br)S1
Tpsa:
63.08
Logp:
1.3178
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
3