CS-0865483
3-(Difluoromethyl)-5-(methylsulfonyl)benzoic acid
Manufacturer: ChemScene
CAS Number: 2592405-68-8
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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
C₉H₈F₂O₄S
Molecular Weight
250.22
Synonyms
None
SMILES
O=C(O)C1=CC(S(=O)(C)=O)=CC(C(F)F)=C1
Tpsa
71.44
Logp
1.7259
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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₈F₂O₄S
Molecular Weight: 250.22
Synonyms: None
SMILES: O=C(O)C1=CC(S(=O)(C)=O)=CC(C(F)F)=C1
Tpsa: 71.44
Logp: 1.7259
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:
C₉H₈F₂O₄S
Molecular Weight:
250.22
Synonyms:
None
SMILES:
O=C(O)C1=CC(S(=O)(C)=O)=CC(C(F)F)=C1
Tpsa:
71.44
Logp:
1.7259
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: C₇H₂BrF₄I
Molecular Weight: 368.89
Synonyms: None
SMILES: FC(C1=C(Br)C(F)=CC(I)=C1)(F)F
Tpsa: 0
Logp: 4.2116
H Acceptors: 0
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₂BrF₄I
Molecular Weight:
368.89
Synonyms:
None
SMILES:
FC(C1=C(Br)C(F)=CC(I)=C1)(F)F
Tpsa:
0
Logp:
4.2116
H Acceptors:
0
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₇BrN₂O
Molecular Weight: 239.07
Synonyms: None
SMILES: COC1=NC=CC2=C1C=NC=C2Br
Tpsa: 35.01
Logp: 2.4009
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:
C₉H₇BrN₂O
Molecular Weight:
239.07
Synonyms:
None
SMILES:
COC1=NC=CC2=C1C=NC=C2Br
Tpsa:
35.01
Logp:
2.4009
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: C₁₀H₈F₂O₄
Molecular Weight: 230.16
Synonyms: None
SMILES: O=C(OC)C1=CC(C=O)=CC(OC(F)F)=C1
Tpsa: 52.6
Logp: 1.8871
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₈F₂O₄
Molecular Weight:
230.16
Synonyms:
None
SMILES:
O=C(OC)C1=CC(C=O)=CC(OC(F)F)=C1
Tpsa:
52.6
Logp:
1.8871
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
4