CS-0643239
4-Nitro-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole-3-carboxylic acid
Manufacturer: ChemScene
CAS Number: 906087-80-7
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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
C₉H₁₁N₃O₅
Molecular Weight
241.20
Synonyms
None
SMILES
O=C(C1=NN(C2CCCCO2)C=C1[N+]([O-])=O)O
Tpsa
107.49
Logp
1.1886
H Acceptors
6
H Donors
1
Rotatable Bonds
3
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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: C₉H₁₁N₃O₅
Molecular Weight: 241.20
Synonyms: None
SMILES: O=C(C1=NN(C2CCCCO2)C=C1[N+]([O-])=O)O
Tpsa: 107.49
Logp: 1.1886
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:
C₉H₁₁N₃O₅
Molecular Weight:
241.20
Synonyms:
None
SMILES:
O=C(C1=NN(C2CCCCO2)C=C1[N+]([O-])=O)O
Tpsa:
107.49
Logp:
1.1886
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: C₈H₁₀N₄
Molecular Weight: 162.19
Synonyms: None
SMILES: N#CC1=NC=C(N)N=C1C(C)C
Tpsa: 75.59
Logp: 1.05388
H Acceptors: 4
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:
C₈H₁₀N₄
Molecular Weight:
162.19
Synonyms:
None
SMILES:
N#CC1=NC=C(N)N=C1C(C)C
Tpsa:
75.59
Logp:
1.05388
H Acceptors:
4
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: C₁₁H₁₄OS
Molecular Weight: 194.29
Synonyms: None
SMILES: S[C@H]1C[C@@H](OCC2=CC=CC=C2)C1
Tpsa: 9.23
Logp: 2.664
H Acceptors: 2
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:
C₁₁H₁₄OS
Molecular Weight:
194.29
Synonyms:
None
SMILES:
S[C@H]1C[C@@H](OCC2=CC=CC=C2)C1
Tpsa:
9.23
Logp:
2.664
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
3
Purity: 96%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₇BrFNO₂S
Molecular Weight: 268.10
Synonyms: None
SMILES: O=S(C1=CC(Br)=CC=C1F)(NC)=O
Tpsa: 46.17
Logp: 1.4963
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 2
Purity:
96%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₇BrFNO₂S
Molecular Weight:
268.10
Synonyms:
None
SMILES:
O=S(C1=CC(Br)=CC=C1F)(NC)=O
Tpsa:
46.17
Logp:
1.4963
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2