CS-1076339
3-Chloro-1-(cyanomethyl)-1H-pyrazole-4-carboxylic acid
Manufacturer: ChemScene
CAS Number: 2765729-10-8
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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
C₆H₄ClN₃O₂
Molecular Weight
185.57
Synonyms
None
SMILES
N#CCN1N=C(Cl)C(=C1)C(=O)O
Tpsa
78.91
Logp
0.75828
H Acceptors
4
H Donors
1
Rotatable Bonds
2
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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: C₆H₄ClN₃O₂
Molecular Weight: 185.57
Synonyms: None
SMILES: N#CCN1N=C(Cl)C(=C1)C(=O)O
Tpsa: 78.91
Logp: 0.75828
H Acceptors: 4
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:
C₆H₄ClN₃O₂
Molecular Weight:
185.57
Synonyms:
None
SMILES:
N#CCN1N=C(Cl)C(=C1)C(=O)O
Tpsa:
78.91
Logp:
0.75828
H Acceptors:
4
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: C₈H₃BrF₃IN₂
Molecular Weight: 390.93
Synonyms: None
SMILES: FC(F)(F)C1=CC=2NN=C(I)C2C=C1Br
Tpsa: 28.68
Logp: 3.9488
H Acceptors: 1
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:
C₈H₃BrF₃IN₂
Molecular Weight:
390.93
Synonyms:
None
SMILES:
FC(F)(F)C1=CC=2NN=C(I)C2C=C1Br
Tpsa:
28.68
Logp:
3.9488
H Acceptors:
1
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: C₁₅H₁₅NO₃
Molecular Weight: 257.28
Synonyms: None
SMILES: O=C1C(=O)C2=C(OC(C)(C)CC2)C=3C=CC(N)=CC13
Tpsa: 69.39
Logp: 2.3343
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:
C₁₅H₁₅NO₃
Molecular Weight:
257.28
Synonyms:
None
SMILES:
O=C1C(=O)C2=C(OC(C)(C)CC2)C=3C=CC(N)=CC13
Tpsa:
69.39
Logp:
2.3343
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: C₁₂H₁₃NO
Molecular Weight: 187.24
Synonyms: None
SMILES: N=1C=CC=2C(OC)=CC=CC2C1CC
Tpsa: 22.12
Logp: 2.8058
H Acceptors: 2
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:
C₁₂H₁₃NO
Molecular Weight:
187.24
Synonyms:
None
SMILES:
N=1C=CC=2C(OC)=CC=CC2C1CC
Tpsa:
22.12
Logp:
2.8058
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2