CS-0749780
3-[(2S,3R)-1-(4-Chlorophenyl)-3-hydroxy-2-butyl]benzonitrile
Manufacturer: ChemScene
CAS Number: 941280-53-1
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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
C₁₇H₁₆ClNO
Molecular Weight
285.77
Synonyms
None
SMILES
C[C@@H](O)[C@@H](CC1=CC=C(Cl)C=C1)C1=CC(=CC=C1)C#N
Tpsa
44.02
Logp
3.91878
H Acceptors
2
H Donors
1
Rotatable Bonds
4
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 941280-53-1 | BENZONITRILE, 3-[(1S,2R)-1-[(4-CHLOROPHENYL)METHYL]-2-HYDROXYPROPYL]- | A2B Chem | -- |
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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: C₁₇H₁₆ClNO
Molecular Weight: 285.77
Synonyms: None
SMILES: C[C@@H](O)[C@@H](CC1=CC=C(Cl)C=C1)C1=CC(=CC=C1)C#N
Tpsa: 44.02
Logp: 3.91878
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₆ClNO
Molecular Weight:
285.77
Synonyms:
None
SMILES:
C[C@@H](O)[C@@H](CC1=CC=C(Cl)C=C1)C1=CC(=CC=C1)C#N
Tpsa:
44.02
Logp:
3.91878
H Acceptors:
2
H Donors:
1
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: C₇H₆BrF₂NO
Molecular Weight: 238.03
Synonyms: None
SMILES: CC1=NC(Br)=CC=C1OC(F)F
Tpsa: 22.12
Logp: 2.75392
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 2
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₆BrF₂NO
Molecular Weight:
238.03
Synonyms:
None
SMILES:
CC1=NC(Br)=CC=C1OC(F)F
Tpsa:
22.12
Logp:
2.75392
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₄F₆O
Molecular Weight: 230.11
Synonyms: None
SMILES: FC(F)OC1=CC(F)=CC(=C1)C(F)(F)F
Tpsa: 9.23
Logp: 3.4459
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 2
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₄F₆O
Molecular Weight:
230.11
Synonyms:
None
SMILES:
FC(F)OC1=CC(F)=CC(=C1)C(F)(F)F
Tpsa:
9.23
Logp:
3.4459
H Acceptors:
1
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: C₁₅H₂₃BO₃
Molecular Weight: 262.15
Synonyms: None
SMILES: CCOC1=C(C=C(C)C=C1)B1OC(C)(C)C(C)(C)O1
Tpsa: 27.69
Logp: 2.69292
H Acceptors: 3
H Donors: 0
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:
C₁₅H₂₃BO₃
Molecular Weight:
262.15
Synonyms:
None
SMILES:
CCOC1=C(C=C(C)C=C1)B1OC(C)(C)C(C)(C)O1
Tpsa:
27.69
Logp:
2.69292
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
3