CS-0901409
(E)-Methyl 5-bromo-2,2-dimethylpent-3-enoate
Manufacturer: ChemScene
CAS Number: 588728-59-0
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₈H₁₃BrO₂
Molecular Weight
221.09
Synonyms
None
SMILES
O=C(OC)C(C)(C)/C=C/CBr
Tpsa
26.3
Logp
2.1367
H Acceptors
2
H Donors
0
Rotatable Bonds
3
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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₃BrO₂
Molecular Weight: 221.09
Synonyms: None
SMILES: O=C(OC)C(C)(C)/C=C/CBr
Tpsa: 26.3
Logp: 2.1367
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₃BrO₂
Molecular Weight:
221.09
Synonyms:
None
SMILES:
O=C(OC)C(C)(C)/C=C/CBr
Tpsa:
26.3
Logp:
2.1367
H Acceptors:
2
H Donors:
0
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: C₈H₁₁ClN₂
Molecular Weight: 170.64
Synonyms: None
SMILES: NC1=CC(C(C)C)=CN=C1Cl
Tpsa: 38.91
Logp: 2.4406
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:
C₈H₁₁ClN₂
Molecular Weight:
170.64
Synonyms:
None
SMILES:
NC1=CC(C(C)C)=CN=C1Cl
Tpsa:
38.91
Logp:
2.4406
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: C₁₈H₁₄N₂O₆
Molecular Weight: 354.31
Synonyms: None
SMILES: O=C1CC2(OC3=CC4=C(C(N(C(CC5)C(NC5=O)=O)C4=O)=O)C=C3C2)C1
Tpsa: 109.85
Logp: 0.1244
H Acceptors: 6
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:
C₁₈H₁₄N₂O₆
Molecular Weight:
354.31
Synonyms:
None
SMILES:
O=C1CC2(OC3=CC4=C(C(N(C(CC5)C(NC5=O)=O)C4=O)=O)C=C3C2)C1
Tpsa:
109.85
Logp:
0.1244
H Acceptors:
6
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: C₁₇H₁₇N₃O₄
Molecular Weight: 327.33
Synonyms: None
SMILES: O=C1NC(C(CC1)N2C(C3=C4CC5(CNC5)OC4=CC=C3C2)=O)=O
Tpsa: 87.74
Logp: -0.2755
H Acceptors: 5
H Donors: 2
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:
C₁₇H₁₇N₃O₄
Molecular Weight:
327.33
Synonyms:
None
SMILES:
O=C1NC(C(CC1)N2C(C3=C4CC5(CNC5)OC4=CC=C3C2)=O)=O
Tpsa:
87.74
Logp:
-0.2755
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
1