CS-0887585
2-Chloro-4-cyano-6-methylbenzoic acid
Manufacturer: ChemScene
CAS Number: 1804875-02-2
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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
C₉H₆ClNO₂
Molecular Weight
195.60
Synonyms
None
SMILES
O=C(O)C1=C(C)C=C(C#N)C=C1Cl
Tpsa
61.09
Logp
2.2183
H Acceptors
2
H Donors
1
Rotatable Bonds
1
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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
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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=C(C)C=C(C#N)C=C1Cl
Tpsa: 61.09
Logp: 2.2183
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:
C₉H₆ClNO₂
Molecular Weight:
195.60
Synonyms:
None
SMILES:
O=C(O)C1=C(C)C=C(C#N)C=C1Cl
Tpsa:
61.09
Logp:
2.2183
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₄BrCl₂NO₂S
Molecular Weight: 341.01
Synonyms: None
SMILES: O=S(C1=C(Cl)C2=CC=CC(Br)=C2N=C1)(Cl)=O
Tpsa: 47.03
Logp: 3.5782
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 1
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₄BrCl₂NO₂S
Molecular Weight:
341.01
Synonyms:
None
SMILES:
O=S(C1=C(Cl)C2=CC=CC(Br)=C2N=C1)(Cl)=O
Tpsa:
47.03
Logp:
3.5782
H Acceptors:
3
H Donors:
0
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: C₉H₁₀N₂
Molecular Weight: 146.19
Synonyms: None
SMILES: N#CC1=CC(C)=CC(CN)=C1
Tpsa: 49.81
Logp: 1.3254
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:
C₉H₁₀N₂
Molecular Weight:
146.19
Synonyms:
None
SMILES:
N#CC1=CC(C)=CC(CN)=C1
Tpsa:
49.81
Logp:
1.3254
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: C₈H₉N₃
Molecular Weight: 147.18
Synonyms: None
SMILES: N#CC1=CC(CN)=NC(C)=C1
Tpsa: 62.7
Logp: 0.7204
H Acceptors: 3
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:
C₈H₉N₃
Molecular Weight:
147.18
Synonyms:
None
SMILES:
N#CC1=CC(CN)=NC(C)=C1
Tpsa:
62.7
Logp:
0.7204
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1