CS-0880006
4-(1-Cyanocyclopropyl)-2-methylbenzoic acid
Manufacturer: ChemScene
CAS Number: 1314735-36-8
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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
C₁₂H₁₁NO₂
Molecular Weight
201.22
Synonyms
None
SMILES
O=C(O)C1=CC=C(C2(C#N)CC2)C=C1C
Tpsa
61.09
Logp
2.2484
H Acceptors
2
H Donors
1
Rotatable Bonds
2
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: C₁₂H₁₁NO₂
Molecular Weight: 201.22
Synonyms: None
SMILES: O=C(O)C1=CC=C(C2(C#N)CC2)C=C1C
Tpsa: 61.09
Logp: 2.2484
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:
C₁₂H₁₁NO₂
Molecular Weight:
201.22
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(C2(C#N)CC2)C=C1C
Tpsa:
61.09
Logp:
2.2484
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: C₁₆H₂₆BClFNO₂
Molecular Weight: 329.65
Synonyms: None
SMILES: FC(C=C1)=CC=C1CCC[C@@H](B2OC(C)(C(C)(O2)C)C)N.Cl
Tpsa: 44.48
Logp: 3.5289
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₂₆BClFNO₂
Molecular Weight:
329.65
Synonyms:
None
SMILES:
FC(C=C1)=CC=C1CCC[C@@H](B2OC(C)(C(C)(O2)C)C)N.Cl
Tpsa:
44.48
Logp:
3.5289
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₆ClNO₄
Molecular Weight: 215.59
Synonyms: None
SMILES: O=C(O)C1=C([N+]([O-])=O)C=C(C)C=C1Cl
Tpsa: 80.44
Logp: 2.25482
H Acceptors: 3
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:
C₈H₆ClNO₄
Molecular Weight:
215.59
Synonyms:
None
SMILES:
O=C(O)C1=C([N+]([O-])=O)C=C(C)C=C1Cl
Tpsa:
80.44
Logp:
2.25482
H Acceptors:
3
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: C₈H₆Cl₂O₂
Molecular Weight: 205.04
Synonyms: None
SMILES: O=C(O)C1=CC(C)=CC(Cl)=C1Cl
Tpsa: 37.3
Logp: 3.00002
H Acceptors: 1
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:
C₈H₆Cl₂O₂
Molecular Weight:
205.04
Synonyms:
None
SMILES:
O=C(O)C1=CC(C)=CC(Cl)=C1Cl
Tpsa:
37.3
Logp:
3.00002
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
1