CS-0142940
2-(3-(4-Chlorophenyl)-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)acetic acid
Manufacturer: ChemScene
CAS Number: 1228650-22-3
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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
C₁₀H₈ClN₃O₃
Molecular Weight
253.64
Synonyms
None
SMILES
O=C(O)CN1C(C2=CC=C(Cl)C=C2)=NNC1=O
Tpsa
87.98
Logp
0.9764
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: C₁₀H₈ClN₃O₃
Molecular Weight: 253.64
Synonyms: None
SMILES: O=C(O)CN1C(C2=CC=C(Cl)C=C2)=NNC1=O
Tpsa: 87.98
Logp: 0.9764
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:
C₁₀H₈ClN₃O₃
Molecular Weight:
253.64
Synonyms:
None
SMILES:
O=C(O)CN1C(C2=CC=C(Cl)C=C2)=NNC1=O
Tpsa:
87.98
Logp:
0.9764
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
3
Purity: 97%
MDL No: MFCD00060300
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₁N
Molecular Weight: 145.20
Synonyms: 2,6-Dimethylphenylacetonitrile
SMILES: N#CCC1=C(C)C=CC=C1C
Tpsa: 23.79
Logp: 2.36952
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 1
Purity:
97%
MDL No:
MFCD00060300
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₁N
Molecular Weight:
145.20
Synonyms:
2,6-Dimethylphenylacetonitrile
SMILES:
N#CCC1=C(C)C=CC=C1C
Tpsa:
23.79
Logp:
2.36952
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
1
Purity: 97%
MDL No: MFCD11044570
Storage: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₀O₂S
Molecular Weight: 206.26
Synonyms: Methyl 6-methyl-1-benzothiophene-2-carboxylate
SMILES: O=C(C1=CC2=CC=C(C)C=C2S1)OC
Tpsa: 26.3
Logp: 2.99632
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 1
Purity:
97%
MDL No:
MFCD11044570
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₀O₂S
Molecular Weight:
206.26
Synonyms:
Methyl 6-methyl-1-benzothiophene-2-carboxylate
SMILES:
O=C(C1=CC2=CC=C(C)C=C2S1)OC
Tpsa:
26.3
Logp:
2.99632
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1
Purity: 97%
MDL No: MFCD27956450
Storage: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₁NO₆
Molecular Weight: 277.23
Synonyms: 5,8-Dihydroxy-quinoline-6,7-dicarboxylic acid dimethyl ester
SMILES: O=C(C1=C(C(OC)=O)C(O)=C2N=CC=CC2=C1O)OC
Tpsa: 105.95
Logp: 1.2192
H Acceptors: 7
H Donors: 2
Rotatable Bonds: 2
Purity:
97%
MDL No:
MFCD27956450
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₁NO₆
Molecular Weight:
277.23
Synonyms:
5,8-Dihydroxy-quinoline-6,7-dicarboxylic acid dimethyl ester
SMILES:
O=C(C1=C(C(OC)=O)C(O)=C2N=CC=CC2=C1O)OC
Tpsa:
105.95
Logp:
1.2192
H Acceptors:
7
H Donors:
2
Rotatable Bonds:
2