CS-0911519
1-Cyano-4,4-difluorocyclohexane-1-carboxylic acid
Manufacturer: ChemScene
CAS Number: 2947425-82-1
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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
C₈H₉F₂NO₂
Molecular Weight
189.16
Synonyms
None
SMILES
O=C(C1(C#N)CCC(F)(F)CC1)O
Tpsa
61.09
Logp
1.79028
H Acceptors
2
H Donors
1
Rotatable Bonds
1
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: C₈H₉F₂NO₂
Molecular Weight: 189.16
Synonyms: None
SMILES: O=C(C1(C#N)CCC(F)(F)CC1)O
Tpsa: 61.09
Logp: 1.79028
H Acceptors: 2
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:
C₈H₉F₂NO₂
Molecular Weight:
189.16
Synonyms:
None
SMILES:
O=C(C1(C#N)CCC(F)(F)CC1)O
Tpsa:
61.09
Logp:
1.79028
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉₀H₁₂₃BrN₁₂O₁₉
Molecular Weight: 1756.91
Synonyms: None
SMILES: O=C(CNC(C([C@@H](C)OC(C)(C)C)NC([C@H](CCCCNC(OC(C)(C)C)=O)NC([C@H](C(C)C)NC(OC(C)(C)C)=O)=O)=O)=O)N[C@@H](CCC(NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)=O)C(N4[C@@H](CCC4)C(N[C@@H](C)C(N[C@@H](CC5=CC=CC=C5)C(N[C@@H](CC6=CC=C(C=C6)Br)C(N[C@@H](CC(OC(C)(C)C)=O)C(OC)=O)=O)=O)=O)=O)=O
Tpsa: 420.7
Logp: 7.9962
H Acceptors: 19
H Donors: 11
Rotatable Bonds: 40
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉₀H₁₂₃BrN₁₂O₁₉
Molecular Weight:
1756.91
Synonyms:
None
SMILES:
O=C(CNC(C([C@@H](C)OC(C)(C)C)NC([C@H](CCCCNC(OC(C)(C)C)=O)NC([C@H](C(C)C)NC(OC(C)(C)C)=O)=O)=O)=O)N[C@@H](CCC(NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)=O)C(N4[C@@H](CCC4)C(N[C@@H](C)C(N[C@@H](CC5=CC=CC=C5)C(N[C@@H](CC6=CC=C(C=C6)Br)C(N[C@@H](CC(OC(C)(C)C)=O)C(OC)=O)=O)=O)=O)=O)=O
Tpsa:
420.7
Logp:
7.9962
H Acceptors:
19
H Donors:
11
Rotatable Bonds:
40
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₅F₂NO
Molecular Weight: 179.21
Synonyms: None
SMILES: NCC1(OC)CCC(F)(F)CC1
Tpsa: 35.25
Logp: 1.5396
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:
C₈H₁₅F₂NO
Molecular Weight:
179.21
Synonyms:
None
SMILES:
NCC1(OC)CCC(F)(F)CC1
Tpsa:
35.25
Logp:
1.5396
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: C₈H₁₆ClF₂NO
Molecular Weight: 215.67
Synonyms: None
SMILES: NCC1(OC)CCC(F)(F)CC1.Cl
Tpsa: 35.25
Logp: 1.9614
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:
C₈H₁₆ClF₂NO
Molecular Weight:
215.67
Synonyms:
None
SMILES:
NCC1(OC)CCC(F)(F)CC1.Cl
Tpsa:
35.25
Logp:
1.9614
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2