CS-1156997
2-Cyano-6-(difluoromethyl)-3-methoxybenzoic acid
Manufacturer: ChemScene
CAS Number: 1804853-68-6
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Purity
97%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₀H₇F₂NO₃
Molecular Weight
227.17
Synonyms
None
SMILES
N#CC=1C(OC)=CC=C(C1C(=O)O)C(F)F
Tpsa
70.32
Logp
2.20268
H Acceptors
3
H Donors
1
Rotatable Bonds
3
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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: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₇F₂NO₃
Molecular Weight: 227.17
Synonyms: None
SMILES: N#CC=1C(OC)=CC=C(C1C(=O)O)C(F)F
Tpsa: 70.32
Logp: 2.20268
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 3
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₇F₂NO₃
Molecular Weight:
227.17
Synonyms:
None
SMILES:
N#CC=1C(OC)=CC=C(C1C(=O)O)C(F)F
Tpsa:
70.32
Logp:
2.20268
H Acceptors:
3
H Donors:
1
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: C₁₃H₁₇NO₃
Molecular Weight: 235.28
Synonyms: None
SMILES: O=C(C=CC1=COC=C1)NCC(O)(C)C2CC2
Tpsa: 62.47
Logp: 1.57
H Acceptors: 3
H Donors: 2
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:
C₁₃H₁₇NO₃
Molecular Weight:
235.28
Synonyms:
None
SMILES:
O=C(C=CC1=COC=C1)NCC(O)(C)C2CC2
Tpsa:
62.47
Logp:
1.57
H Acceptors:
3
H Donors:
2
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: C₈H₁₃I
Molecular Weight: 236.10
Synonyms: None
SMILES: ICC1CC2(CCC2)C1
Tpsa: 0
Logp: 3.0017
H Acceptors: 0
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:
C₈H₁₃I
Molecular Weight:
236.10
Synonyms:
None
SMILES:
ICC1CC2(CCC2)C1
Tpsa:
0
Logp:
3.0017
H Acceptors:
0
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: C₇H₁₄FNO
Molecular Weight: 147.19
Synonyms: None
SMILES: FCCN1CCC(CO)C1
Tpsa: 23.47
Logp: 0.2701
H Acceptors: 2
H Donors: 1
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:
C₇H₁₄FNO
Molecular Weight:
147.19
Synonyms:
None
SMILES:
FCCN1CCC(CO)C1
Tpsa:
23.47
Logp:
0.2701
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
3