CS-0785413
3-Chloro-5-(2-methyl-1-oxopropan-2-yl)benzonitrile
Manufacturer: ChemScene
CAS Number: 2796196-59-1
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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#CC1=CC(Cl)=CC(C(C)(C)C=O)=C1
Tpsa
40.86
Logp
2.68818
H Acceptors
2
H Donors
0
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: C₁₁H₁₀ClNO
Molecular Weight: 207.66
Synonyms: None
SMILES: N#CC1=CC(Cl)=CC(C(C)(C)C=O)=C1
Tpsa: 40.86
Logp: 2.68818
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#CC1=CC(Cl)=CC(C(C)(C)C=O)=C1
Tpsa:
40.86
Logp:
2.68818
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: C₉H₁₁NO₂
Molecular Weight: 165.19
Synonyms: None
SMILES: OCC1=CC=C(COCC2)C2=N1
Tpsa: 42.35
Logp: 0.6466
H Acceptors: 3
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:
C₉H₁₁NO₂
Molecular Weight:
165.19
Synonyms:
None
SMILES:
OCC1=CC=C(COCC2)C2=N1
Tpsa:
42.35
Logp:
0.6466
H Acceptors:
3
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: C₇H₇BN₂O₂
Molecular Weight: 161.95
Synonyms: None
SMILES: N#CC1=CN=C(C)C=C1B(O)O
Tpsa: 77.14
Logp: -1.0585
H Acceptors: 4
H Donors: 2
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:
C₇H₇BN₂O₂
Molecular Weight:
161.95
Synonyms:
None
SMILES:
N#CC1=CN=C(C)C=C1B(O)O
Tpsa:
77.14
Logp:
-1.0585
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
1
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₄BF₄IO₂
Molecular Weight: 427.97
Synonyms: None
SMILES: COC1=CC=C([I+]C2=CC=C(OC)C=C2)C=C1.FB(F)F.[F-]
Tpsa: 18.46
Logp: -2.284
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 4
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₄BF₄IO₂
Molecular Weight:
427.97
Synonyms:
None
SMILES:
COC1=CC=C([I+]C2=CC=C(OC)C=C2)C=C1.FB(F)F.[F-]
Tpsa:
18.46
Logp:
-2.284
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
4