CS-0526672
3-Bromobenzo[c]isothiazole-5-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1782620-63-6
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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
C₈H₄BrNO₂S
Molecular Weight
258.09
Synonyms
None
SMILES
O=C(C1=CC2=C(Br)SN=C2C=C1)O
Tpsa
50.19
Logp
2.757
H Acceptors
3
H Donors
1
Rotatable Bonds
1
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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
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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: C₈H₄BrNO₂S
Molecular Weight: 258.09
Synonyms: None
SMILES: O=C(C1=CC2=C(Br)SN=C2C=C1)O
Tpsa: 50.19
Logp: 2.757
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:
C₈H₄BrNO₂S
Molecular Weight:
258.09
Synonyms:
None
SMILES:
O=C(C1=CC2=C(Br)SN=C2C=C1)O
Tpsa:
50.19
Logp:
2.757
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: C₈H₅NO₃
Molecular Weight: 163.13
Synonyms: None
SMILES: O=C(C1=CC2=CON=C2C=C1)O
Tpsa: 63.33
Logp: 1.526
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:
C₈H₅NO₃
Molecular Weight:
163.13
Synonyms:
None
SMILES:
O=C(C1=CC2=CON=C2C=C1)O
Tpsa:
63.33
Logp:
1.526
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: C₈H₉N₃S
Molecular Weight: 179.24
Synonyms: None
SMILES: N#CC1=C(N)SC2=C1CCNC2
Tpsa: 61.84
Logp: 0.84768
H Acceptors: 4
H Donors: 2
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:
C₈H₉N₃S
Molecular Weight:
179.24
Synonyms:
None
SMILES:
N#CC1=C(N)SC2=C1CCNC2
Tpsa:
61.84
Logp:
0.84768
H Acceptors:
4
H Donors:
2
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: C₇H₈N₂O₃
Molecular Weight: 168.15
Synonyms: None
SMILES: O=C(C1=NNC(C)=CC1=O)OC
Tpsa: 72.05
Logp: -0.13508
H Acceptors: 4
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:
C₇H₈N₂O₃
Molecular Weight:
168.15
Synonyms:
None
SMILES:
O=C(C1=NNC(C)=CC1=O)OC
Tpsa:
72.05
Logp:
-0.13508
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1