CS-0641836
3-Bromo-5-(methylsulfonyl)benzonitrile
Manufacturer: ChemScene
CAS Number: 1891807-58-1
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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
C₈H₆BrNO₂S
Molecular Weight
260.11
Synonyms
None
SMILES
N#CC1=CC(S(=O)(C)=O)=CC(Br)=C1
Tpsa
57.93
Logp
1.72428
H Acceptors
3
H Donors
0
Rotatable Bonds
1
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: C₈H₆BrNO₂S
Molecular Weight: 260.11
Synonyms: None
SMILES: N#CC1=CC(S(=O)(C)=O)=CC(Br)=C1
Tpsa: 57.93
Logp: 1.72428
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:
C₈H₆BrNO₂S
Molecular Weight:
260.11
Synonyms:
None
SMILES:
N#CC1=CC(S(=O)(C)=O)=CC(Br)=C1
Tpsa:
57.93
Logp:
1.72428
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: C₆H₁₁BrClN₃
Molecular Weight: 240.53
Synonyms: None
SMILES: CNCCN1N=CC(Br)=C1.[H]Cl
Tpsa: 29.85
Logp: 1.2868
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:
C₆H₁₁BrClN₃
Molecular Weight:
240.53
Synonyms:
None
SMILES:
CNCCN1N=CC(Br)=C1.[H]Cl
Tpsa:
29.85
Logp:
1.2868
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: C₇H₇Cl₂NO
Molecular Weight: 192.04
Synonyms: None
SMILES: OC(C)C1=CC(Cl)=CN=C1Cl
Tpsa: 33.12
Logp: 2.4417
H Acceptors: 2
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:
C₇H₇Cl₂NO
Molecular Weight:
192.04
Synonyms:
None
SMILES:
OC(C)C1=CC(Cl)=CN=C1Cl
Tpsa:
33.12
Logp:
2.4417
H Acceptors:
2
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: C₈H₇ClF₂O
Molecular Weight: 192.59
Synonyms: None
SMILES: O[C@H](C(F)F)C1=CC=CC(Cl)=C1
Tpsa: 20.23
Logp: 2.6385
H Acceptors: 1
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:
C₈H₇ClF₂O
Molecular Weight:
192.59
Synonyms:
None
SMILES:
O[C@H](C(F)F)C1=CC=CC(Cl)=C1
Tpsa:
20.23
Logp:
2.6385
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
2