CS-0614659
3-Chloro-5-(2-cyanopropan-2-yl)benzoic acid
Manufacturer: ChemScene
CAS Number: 2694009-61-3
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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
C₁₁H₁₀ClNO₂
Molecular Weight
223.66
Synonyms
None
SMILES
O=C(O)C1=CC(C(C)(C#N)C)=CC(Cl)=C1
Tpsa
61.09
Logp
2.83938
H Acceptors
2
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: C₁₁H₁₀ClNO₂
Molecular Weight: 223.66
Synonyms: None
SMILES: O=C(O)C1=CC(C(C)(C#N)C)=CC(Cl)=C1
Tpsa: 61.09
Logp: 2.83938
H Acceptors: 2
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:
C₁₁H₁₀ClNO₂
Molecular Weight:
223.66
Synonyms:
None
SMILES:
O=C(O)C1=CC(C(C)(C#N)C)=CC(Cl)=C1
Tpsa:
61.09
Logp:
2.83938
H Acceptors:
2
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: C₁₁H₉ClO₃
Molecular Weight: 224.64
Synonyms: None
SMILES: O=C(O)C1=CC(C(C2CC2)=O)=CC(Cl)=C1
Tpsa: 54.37
Logp: 2.6309
H Acceptors: 2
H Donors: 1
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:
C₁₁H₉ClO₃
Molecular Weight:
224.64
Synonyms:
None
SMILES:
O=C(O)C1=CC(C(C2CC2)=O)=CC(Cl)=C1
Tpsa:
54.37
Logp:
2.6309
H Acceptors:
2
H Donors:
1
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: C₁₀H₆F₃NO₃
Molecular Weight: 245.15
Synonyms: None
SMILES: O=C(O)C1=CC(OC(F)(F)F)=CC(CC#N)=C1
Tpsa: 70.32
Logp: 2.34948
H Acceptors: 3
H Donors: 1
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:
C₁₀H₆F₃NO₃
Molecular Weight:
245.15
Synonyms:
None
SMILES:
O=C(O)C1=CC(OC(F)(F)F)=CC(CC#N)=C1
Tpsa:
70.32
Logp:
2.34948
H Acceptors:
3
H Donors:
1
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: C₁₂H₁₁F₃NNaO₃
Molecular Weight: 297.21
Synonyms: None
SMILES: N#CC(C)(C)C1=CC(C(O)=O)=CC(OC(F)(F)F)=C1.[NaH]
Tpsa: 70.32
Logp: 2.43608
H Acceptors: 3
H Donors: 1
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:
C₁₂H₁₁F₃NNaO₃
Molecular Weight:
297.21
Synonyms:
None
SMILES:
N#CC(C)(C)C1=CC(C(O)=O)=CC(OC(F)(F)F)=C1.[NaH]
Tpsa:
70.32
Logp:
2.43608
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3