CS-0880657
4-(Ethoxycarbonyl)-1H-pyrazole-3-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1195701-89-3
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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
C₇H₈N₂O₄
Molecular Weight
184.15
Synonyms
None
SMILES
O=C(C1=NNC=C1C(OCC)=O)O
Tpsa
92.28
Logp
0.2846
H Acceptors
4
H Donors
2
Rotatable Bonds
3
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: C₇H₈N₂O₄
Molecular Weight: 184.15
Synonyms: None
SMILES: O=C(C1=NNC=C1C(OCC)=O)O
Tpsa: 92.28
Logp: 0.2846
H Acceptors: 4
H Donors: 2
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:
C₇H₈N₂O₄
Molecular Weight:
184.15
Synonyms:
None
SMILES:
O=C(C1=NNC=C1C(OCC)=O)O
Tpsa:
92.28
Logp:
0.2846
H Acceptors:
4
H Donors:
2
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: C₁₃H₁₂BrF₃N₂O₂
Molecular Weight: 365.15
Synonyms: None
SMILES: O=C(N1C=C(Br)C2=CC=C(C(F)(F)F)N=C21)OC(C)(C)C
Tpsa: 44.12
Logp: 4.6008
H Acceptors: 4
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:
C₁₃H₁₂BrF₃N₂O₂
Molecular Weight:
365.15
Synonyms:
None
SMILES:
O=C(N1C=C(Br)C2=CC=C(C(F)(F)F)N=C21)OC(C)(C)C
Tpsa:
44.12
Logp:
4.6008
H Acceptors:
4
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: C₁₆H₂₁BrN₂O₆
Molecular Weight: 417.25
Synonyms: None
SMILES: O=C(C1=NC(N(C(OC(C)(C)C)=O)C(OC(C)(C)C)=O)=CC=C1Br)O
Tpsa: 106.03
Logp: 4.2189
H Acceptors: 6
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:
C₁₆H₂₁BrN₂O₆
Molecular Weight:
417.25
Synonyms:
None
SMILES:
O=C(C1=NC(N(C(OC(C)(C)C)=O)C(OC(C)(C)C)=O)=CC=C1Br)O
Tpsa:
106.03
Logp:
4.2189
H Acceptors:
6
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: C₁₁H₁₀N₂O₄
Molecular Weight: 234.21
Synonyms: None
SMILES: O=C(C1=C2C=CC(C(O)=O)=CN2C=N1)OCC
Tpsa: 80.9
Logp: 1.2092
H Acceptors: 5
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:
C₁₁H₁₀N₂O₄
Molecular Weight:
234.21
Synonyms:
None
SMILES:
O=C(C1=C2C=CC(C(O)=O)=CN2C=N1)OCC
Tpsa:
80.9
Logp:
1.2092
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
3