CS-1165095
5-Chloro-4-methyl-4H-1,2,4-triazole-3-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1558214-92-8
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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
C₄H₄ClN₃O₂
Molecular Weight
161.55
Synonyms
None
SMILES
O=C(O)C1=NN=C(Cl)N1C
Tpsa
68.01
Logp
0.1667
H Acceptors
4
H Donors
1
Rotatable Bonds
1
SAFETY INFORMATION
Pictograms
Signal Word
Danger
UN Number
2811
Class
6.1
Packing Group
Ⅲ
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+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: C₄H₄ClN₃O₂
Molecular Weight: 161.55
Synonyms: None
SMILES: O=C(O)C1=NN=C(Cl)N1C
Tpsa: 68.01
Logp: 0.1667
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:
C₄H₄ClN₃O₂
Molecular Weight:
161.55
Synonyms:
None
SMILES:
O=C(O)C1=NN=C(Cl)N1C
Tpsa:
68.01
Logp:
0.1667
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: C₁₀H₈ClFN₂
Molecular Weight: 210.64
Synonyms: None
SMILES: FC1=CC=CC2=C1N=C(Cl)N2C3CC3
Tpsa: 17.82
Logp: 3.1637
H Acceptors: 2
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:
C₁₀H₈ClFN₂
Molecular Weight:
210.64
Synonyms:
None
SMILES:
FC1=CC=CC2=C1N=C(Cl)N2C3CC3
Tpsa:
17.82
Logp:
3.1637
H Acceptors:
2
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: C₉H₁₂BrNO₂
Molecular Weight: 246.10
Synonyms: None
SMILES: BrC1=CC=CC(OC)=C1OCCN
Tpsa: 44.48
Logp: 1.7952
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₂BrNO₂
Molecular Weight:
246.10
Synonyms:
None
SMILES:
BrC1=CC=CC(OC)=C1OCCN
Tpsa:
44.48
Logp:
1.7952
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₅NO₃
Molecular Weight: 161.20
Synonyms: None
SMILES: O=C(O)C(O)(C)CC(N)(C)C
Tpsa: 83.55
Logp: -0.0506
H Acceptors: 3
H Donors: 3
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:
C₇H₁₅NO₃
Molecular Weight:
161.20
Synonyms:
None
SMILES:
O=C(O)C(O)(C)CC(N)(C)C
Tpsa:
83.55
Logp:
-0.0506
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
3