CS-0614666
3-Chloro-5-(cyanomethyl)benzoic acid
Manufacturer: ChemScene
CAS Number: 1378583-20-0
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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
C₉H₆ClNO₂
Molecular Weight
195.60
Synonyms
None
SMILES
O=C(O)C1=CC(CC#N)=CC(Cl)=C1
Tpsa
61.09
Logp
2.10428
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: C₉H₆ClNO₂
Molecular Weight: 195.60
Synonyms: None
SMILES: O=C(O)C1=CC(CC#N)=CC(Cl)=C1
Tpsa: 61.09
Logp: 2.10428
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:
C₉H₆ClNO₂
Molecular Weight:
195.60
Synonyms:
None
SMILES:
O=C(O)C1=CC(CC#N)=CC(Cl)=C1
Tpsa:
61.09
Logp:
2.10428
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: C₁₂H₁₁F₃O₄
Molecular Weight: 276.21
Synonyms: None
SMILES: O=C(C1=C(C(F)(F)F)C(C(CCC2)=O)=C2O1)OCC
Tpsa: 56.51
Logp: 2.9941
H Acceptors: 4
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:
C₁₂H₁₁F₃O₄
Molecular Weight:
276.21
Synonyms:
None
SMILES:
O=C(C1=C(C(F)(F)F)C(C(CCC2)=O)=C2O1)OCC
Tpsa:
56.51
Logp:
2.9941
H Acceptors:
4
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: C₉H₁₅NO
Molecular Weight: 153.22
Synonyms: None
SMILES: OC[C@@]1(C2)CCCN1CC2=C
Tpsa: 23.47
Logp: 0.7732
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:
C₉H₁₅NO
Molecular Weight:
153.22
Synonyms:
None
SMILES:
OC[C@@]1(C2)CCCN1CC2=C
Tpsa:
23.47
Logp:
0.7732
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₂₄N₂O₃
Molecular Weight: 256.34
Synonyms: None
SMILES: O=C(N1[C@]2([H])[C@@H]([C@@H](O)C)NC[C@@]1([H])CC2)OC(C)(C)C
Tpsa: 61.8
Logp: 1.1071
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₂₄N₂O₃
Molecular Weight:
256.34
Synonyms:
None
SMILES:
O=C(N1[C@]2([H])[C@@H]([C@@H](O)C)NC[C@@]1([H])CC2)OC(C)(C)C
Tpsa:
61.8
Logp:
1.1071
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
1