CS-0609418
Methyl 5-bromo-2-ethynylbenzoate
Manufacturer: ChemScene
CAS Number: 1446114-07-3
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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
C₁₀H₇BrO₂
Molecular Weight
239.07
Synonyms
Benzoic acid, 5-bromo-2-ethynyl-, methyl ester
SMILES
O=C(OC)C1=CC(Br)=CC=C1C#C
Tpsa
26.3
Logp
2.217
H Acceptors
2
H Donors
0
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
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: C₁₀H₇BrO₂
Molecular Weight: 239.07
Synonyms: Benzoic acid, 5-bromo-2-ethynyl-, methyl ester
SMILES: O=C(OC)C1=CC(Br)=CC=C1C#C
Tpsa: 26.3
Logp: 2.217
H Acceptors: 2
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:
C₁₀H₇BrO₂
Molecular Weight:
239.07
Synonyms:
Benzoic acid, 5-bromo-2-ethynyl-, methyl ester
SMILES:
O=C(OC)C1=CC(Br)=CC=C1C#C
Tpsa:
26.3
Logp:
2.217
H Acceptors:
2
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: C₉H₆O₂
Molecular Weight: 146.14
Synonyms: None
SMILES: O=CC1=CC=CC(C#C)=C1O
Tpsa: 37.3
Logp: 1.186
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:
C₉H₆O₂
Molecular Weight:
146.14
Synonyms:
None
SMILES:
O=CC1=CC=CC(C#C)=C1O
Tpsa:
37.3
Logp:
1.186
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: C₂₀H₂₆ClN₃O₃
Molecular Weight: 391.89
Synonyms: None
SMILES: O=C(N1CCC([C@](O)(C2=NC3=CC(Cl)=NC=C3C=C2)C)CC1)OC(C)(C)C
Tpsa: 75.55
Logp: 4.1378
H Acceptors: 5
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:
C₂₀H₂₆ClN₃O₃
Molecular Weight:
391.89
Synonyms:
None
SMILES:
O=C(N1CCC([C@](O)(C2=NC3=CC(Cl)=NC=C3C=C2)C)CC1)OC(C)(C)C
Tpsa:
75.55
Logp:
4.1378
H Acceptors:
5
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: C₈H₆ClN
Molecular Weight: 151.59
Synonyms: None
SMILES: CC1=CC=C(C#C)C(Cl)=N1
Tpsa: 12.89
Logp: 2.02472
H Acceptors: 1
H Donors: 0
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:
C₈H₆ClN
Molecular Weight:
151.59
Synonyms:
None
SMILES:
CC1=CC=C(C#C)C(Cl)=N1
Tpsa:
12.89
Logp:
2.02472
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
0