CS-0311543
3-(4-Chlorophenyl)-2,2-dimethyl-3-oxopropanenitrile
Manufacturer: ChemScene
CAS Number: 118362-76-8
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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
C₁₁H₁₀ClNO
Molecular Weight
207.66
Synonyms
None
SMILES
N#CC(C)(C)C(C1=CC=C(C=C1)Cl)=O
Tpsa
40.86
Logp
3.07248
H Acceptors
2
H Donors
0
Rotatable Bonds
2
SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
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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: C₁₁H₁₀ClNO
Molecular Weight: 207.66
Synonyms: None
SMILES: N#CC(C)(C)C(C1=CC=C(C=C1)Cl)=O
Tpsa: 40.86
Logp: 3.07248
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:
C₁₁H₁₀ClNO
Molecular Weight:
207.66
Synonyms:
None
SMILES:
N#CC(C)(C)C(C1=CC=C(C=C1)Cl)=O
Tpsa:
40.86
Logp:
3.07248
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: MFCD11656385
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₉NO₃
Molecular Weight: 167.16
Synonyms: Ethyl 5-hydroxypyridine-2-carboxylate
SMILES: O=C(C1=NC=C(O)C=C1)OCC
Tpsa: 59.42
Logp: 0.9639
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD11656385
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₉NO₃
Molecular Weight:
167.16
Synonyms:
Ethyl 5-hydroxypyridine-2-carboxylate
SMILES:
O=C(C1=NC=C(O)C=C1)OCC
Tpsa:
59.42
Logp:
0.9639
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: C₉H₁₁NO₃S
Molecular Weight: 213.25
Synonyms: None
SMILES: OC1=C2C(CCCS2(=O)=O)=CC=C1N
Tpsa: 80.39
Logp: 0.6943
H Acceptors: 4
H Donors: 2
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:
C₉H₁₁NO₃S
Molecular Weight:
213.25
Synonyms:
None
SMILES:
OC1=C2C(CCCS2(=O)=O)=CC=C1N
Tpsa:
80.39
Logp:
0.6943
H Acceptors:
4
H Donors:
2
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: C₉H₉NO₃S
Molecular Weight: 211.24
Synonyms: 2H-1-Benzothiopyran-8-ol, 7-amino-, 1,1-dioxide
SMILES: OC1=C2C(C=CCS2(=O)=O)=CC=C1N
Tpsa: 80.39
Logp: 0.7749
H Acceptors: 4
H Donors: 2
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:
C₉H₉NO₃S
Molecular Weight:
211.24
Synonyms:
2H-1-Benzothiopyran-8-ol, 7-amino-, 1,1-dioxide
SMILES:
OC1=C2C(C=CCS2(=O)=O)=CC=C1N
Tpsa:
80.39
Logp:
0.7749
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
0