CS-0900985
4-Bromo-2-ethynyl-5-(methylsulfonyl)benzoic acid
Manufacturer: ChemScene
CAS Number: 1236475-57-2
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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
C₁₀H₇BrO₄S
Molecular Weight
303.13
Synonyms
None
SMILES
O=C(O)C1=CC(S(=O)(C)=O)=C(Br)C=C1C#C
Tpsa
71.44
Logp
1.5321
H Acceptors
3
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: C₁₀H₇BrO₄S
Molecular Weight: 303.13
Synonyms: None
SMILES: O=C(O)C1=CC(S(=O)(C)=O)=C(Br)C=C1C#C
Tpsa: 71.44
Logp: 1.5321
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:
C₁₀H₇BrO₄S
Molecular Weight:
303.13
Synonyms:
None
SMILES:
O=C(O)C1=CC(S(=O)(C)=O)=C(Br)C=C1C#C
Tpsa:
71.44
Logp:
1.5321
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: MFCD17677152
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₂ClF₆N
Molecular Weight: 249.54
Synonyms: None
SMILES: FC(C1=CC=C(Cl)N=C1C(F)(F)F)(F)F
Tpsa: 12.89
Logp: 3.7726
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
MFCD17677152
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₂ClF₆N
Molecular Weight:
249.54
Synonyms:
None
SMILES:
FC(C1=CC=C(Cl)N=C1C(F)(F)F)(F)F
Tpsa:
12.89
Logp:
3.7726
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: MFCD01316884
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₇ClF₃NO
Molecular Weight: 237.61
Synonyms: None
SMILES: CC(CC1=NC=C(C(F)(F)F)C=C1Cl)=O
Tpsa: 29.96
Logp: 2.8853
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD01316884
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₇ClF₃NO
Molecular Weight:
237.61
Synonyms:
None
SMILES:
CC(CC1=NC=C(C(F)(F)F)C=C1Cl)=O
Tpsa:
29.96
Logp:
2.8853
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: MFCD30342804
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₈Cl₂F₃N₃
Molecular Weight: 262.06
Synonyms: 3-(Trifluoromethyl)picolinimidamide (dihydrochloride)
SMILES: N=C(C1=NC=CC=C1C(F)(F)F)N.Cl.Cl
Tpsa: 62.76
Logp: 2.22807
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD30342804
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₈Cl₂F₃N₃
Molecular Weight:
262.06
Synonyms:
3-(Trifluoromethyl)picolinimidamide (dihydrochloride)
SMILES:
N=C(C1=NC=CC=C1C(F)(F)F)N.Cl.Cl
Tpsa:
62.76
Logp:
2.22807
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
1