CS-0801108
2-(1-Cyanocyclopropyl)-4-(trifluoromethyl)benzoic acid
Manufacturer: ChemScene
CAS Number: 2771022-75-2
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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
C₁₂H₈F₃NO₂
Molecular Weight
255.19
Synonyms
None
SMILES
OC(=O)C1=C(C=C(C=C1)C(F)(F)F)C2(C#N)CC2
Tpsa
61.09
Logp
2.95878
H Acceptors
2
H Donors
1
Rotatable Bonds
2
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: C₁₂H₈F₃NO₂
Molecular Weight: 255.19
Synonyms: None
SMILES: OC(=O)C1=C(C=C(C=C1)C(F)(F)F)C2(C#N)CC2
Tpsa: 61.09
Logp: 2.95878
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:
C₁₂H₈F₃NO₂
Molecular Weight:
255.19
Synonyms:
None
SMILES:
OC(=O)C1=C(C=C(C=C1)C(F)(F)F)C2(C#N)CC2
Tpsa:
61.09
Logp:
2.95878
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: C₁₈H₂₆BClO₄
Molecular Weight: 352.66
Synonyms: None
SMILES: COCOC1=CC(B2OC(C)(C)C(C)(C)O2)=C(C(Cl)=C1)[C@H]3[C@H](C)C3
Tpsa: 36.92
Logp: 3.7453
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₂₆BClO₄
Molecular Weight:
352.66
Synonyms:
None
SMILES:
COCOC1=CC(B2OC(C)(C)C(C)(C)O2)=C(C(Cl)=C1)[C@H]3[C@H](C)C3
Tpsa:
36.92
Logp:
3.7453
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₆H₁₈FNO₄
Molecular Weight: 307.32
Synonyms: None
SMILES: C1=CC=C(C=C1)COC(=O)N2CC3(C(O)=O)CC(CC3)(F)C2
Tpsa: 66.84
Logp: 2.602
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:
C₁₆H₁₈FNO₄
Molecular Weight:
307.32
Synonyms:
None
SMILES:
C1=CC=C(C=C1)COC(=O)N2CC3(C(O)=O)CC(CC3)(F)C2
Tpsa:
66.84
Logp:
2.602
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: C₈H₁₂FNO₂
Molecular Weight: 173.18
Synonyms: None
SMILES: OC(=O)C12CC(CNC2)(F)CC1
Tpsa: 49.33
Logp: 0.5528
H Acceptors: 2
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:
C₈H₁₂FNO₂
Molecular Weight:
173.18
Synonyms:
None
SMILES:
OC(=O)C12CC(CNC2)(F)CC1
Tpsa:
49.33
Logp:
0.5528
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
1