CS-0885144
4-Chloro-3-(2-cyanopropan-2-yl)benzoic acid
Manufacturer: ChemScene
CAS Number: 872091-88-8
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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
C₁₁H₁₀ClNO₂
Molecular Weight
223.66
Synonyms
None
SMILES
O=C(O)C1=CC=C(Cl)C(C(C)(C#N)C)=C1
Tpsa
61.09
Logp
2.83938
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: C₁₁H₁₀ClNO₂
Molecular Weight: 223.66
Synonyms: None
SMILES: O=C(O)C1=CC=C(Cl)C(C(C)(C#N)C)=C1
Tpsa: 61.09
Logp: 2.83938
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:
C₁₁H₁₀ClNO₂
Molecular Weight:
223.66
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(Cl)C(C(C)(C#N)C)=C1
Tpsa:
61.09
Logp:
2.83938
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: C₁₁H₁₀O₃
Molecular Weight: 190.20
Synonyms: None
SMILES: O=C(C(C=C1CC2)=CC=C1CC2=O)O
Tpsa: 54.37
Logp: 1.4426
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:
C₁₁H₁₀O₃
Molecular Weight:
190.20
Synonyms:
None
SMILES:
O=C(C(C=C1CC2)=CC=C1CC2=O)O
Tpsa:
54.37
Logp:
1.4426
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: C₁₁H₈ClNO₂
Molecular Weight: 221.64
Synonyms: None
SMILES: O=C(O)C1=CC=C(Cl)C(C2(C#N)CC2)=C1
Tpsa: 61.09
Logp: 2.59338
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:
C₁₁H₈ClNO₂
Molecular Weight:
221.64
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(Cl)C(C2(C#N)CC2)=C1
Tpsa:
61.09
Logp:
2.59338
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: C₁₀H₈O₄
Molecular Weight: 192.17
Synonyms: None
SMILES: O=C(C1=CC=C(O2)C(CCC2=O)=C1)O
Tpsa: 63.6
Logp: 1.2364
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:
C₁₀H₈O₄
Molecular Weight:
192.17
Synonyms:
None
SMILES:
O=C(C1=CC=C(O2)C(CCC2=O)=C1)O
Tpsa:
63.6
Logp:
1.2364
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1