CS-0508790
Tert-butyl 2-(5-bromopyrimidin-2-yl)-2-cyanoacetate
Manufacturer: ChemScene
CAS Number: 1305329-97-8
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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
C₁₁H₁₂BrN₃O₂
Molecular Weight
298.14
Synonyms
2-Pyrimidineacetic acid, 5-bromo-α-cyano-, 1,1-dimethylethyl ester
SMILES
O=C(OC(C)(C)C)C(C#N)C1=NC=C(Br)C=N1
Tpsa
75.87
Logp
2.18798
H Acceptors
5
H Donors
0
Rotatable Bonds
2
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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: C₁₁H₁₂BrN₃O₂
Molecular Weight: 298.14
Synonyms: 2-Pyrimidineacetic acid, 5-bromo-α-cyano-, 1,1-dimethylethyl ester
SMILES: O=C(OC(C)(C)C)C(C#N)C1=NC=C(Br)C=N1
Tpsa: 75.87
Logp: 2.18798
H Acceptors: 5
H Donors: 0
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:
C₁₁H₁₂BrN₃O₂
Molecular Weight:
298.14
Synonyms:
2-Pyrimidineacetic acid, 5-bromo-α-cyano-, 1,1-dimethylethyl ester
SMILES:
O=C(OC(C)(C)C)C(C#N)C1=NC=C(Br)C=N1
Tpsa:
75.87
Logp:
2.18798
H Acceptors:
5
H Donors:
0
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: C₁₂H₁₆N₂O₃S
Molecular Weight: 268.33
Synonyms: None
SMILES: O=S(C1CN(C(C2=CC=CC=C2)=O)CCC1)(N)=O
Tpsa: 80.47
Logp: 0.5797
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:
C₁₂H₁₆N₂O₃S
Molecular Weight:
268.33
Synonyms:
None
SMILES:
O=S(C1CN(C(C2=CC=CC=C2)=O)CCC1)(N)=O
Tpsa:
80.47
Logp:
0.5797
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: MFCD19442078
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₀F₆O₂
Molecular Weight: 312.21
Synonyms: 2,2,2-Trifluoro-1-phenyl-1-(trifluoromethyl)ethyl methacrylate
SMILES: CC(C(OC(C(F)(F)F)(C1=CC=CC=C1)C(F)(F)F)=O)=C
Tpsa: 26.3
Logp: 4.1258
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD19442078
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₀F₆O₂
Molecular Weight:
312.21
Synonyms:
2,2,2-Trifluoro-1-phenyl-1-(trifluoromethyl)ethyl methacrylate
SMILES:
CC(C(OC(C(F)(F)F)(C1=CC=CC=C1)C(F)(F)F)=O)=C
Tpsa:
26.3
Logp:
4.1258
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD06205024
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₆Cl₂O₂S
Molecular Weight: 225.09
Synonyms: None
SMILES: O=C(C1=C(Cl)SC(Cl)=C1)OCC
Tpsa: 26.3
Logp: 3.2316
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD06205024
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₆Cl₂O₂S
Molecular Weight:
225.09
Synonyms:
None
SMILES:
O=C(C1=C(Cl)SC(Cl)=C1)OCC
Tpsa:
26.3
Logp:
3.2316
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
2