CS-0643770
1H-Indole-6-carboxylic acid, 5-bromo-2,3-dihydro-3,3-dimethyl-2-oxo-, methyl ester
Manufacturer: ChemScene
CAS Number: 2891652-51-8
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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
C₁₂H₁₂BrNO₃
Molecular Weight
298.13
Synonyms
None
SMILES
O=C(C1=CC2=C(C=C1Br)C(C)(C)C(N2)=O)OC
Tpsa
55.4
Logp
2.4654
H Acceptors
3
H Donors
1
Rotatable Bonds
1
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: C₁₂H₁₂BrNO₃
Molecular Weight: 298.13
Synonyms: None
SMILES: O=C(C1=CC2=C(C=C1Br)C(C)(C)C(N2)=O)OC
Tpsa: 55.4
Logp: 2.4654
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:
C₁₂H₁₂BrNO₃
Molecular Weight:
298.13
Synonyms:
None
SMILES:
O=C(C1=CC2=C(C=C1Br)C(C)(C)C(N2)=O)OC
Tpsa:
55.4
Logp:
2.4654
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: C₁₈H₂₁ClF₈N₄
Molecular Weight: 480.83
Synonyms: None
SMILES: FC(F)(C1=C(C([C@H](N)C)=CC(N)=C1)F)F.FC(F)(C2=C(C([C@H](N)C)=CC(N)=C2)F)F.Cl
Tpsa: 104.08
Logp: 5.3146
H Acceptors: 4
H Donors: 4
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:
C₁₈H₂₁ClF₈N₄
Molecular Weight:
480.83
Synonyms:
None
SMILES:
FC(F)(C1=C(C([C@H](N)C)=CC(N)=C1)F)F.FC(F)(C2=C(C([C@H](N)C)=CC(N)=C2)F)F.Cl
Tpsa:
104.08
Logp:
5.3146
H Acceptors:
4
H Donors:
4
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: C₅H₄NNaO₄
Molecular Weight: 165.08
Synonyms: None
SMILES: O=C(C1=NOC(OC)=C1)O[Na]
Tpsa: 61.56
Logp: -0.0765
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:
C₅H₄NNaO₄
Molecular Weight:
165.08
Synonyms:
None
SMILES:
O=C(C1=NOC(OC)=C1)O[Na]
Tpsa:
61.56
Logp:
-0.0765
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: C₁₁H₁₀BrNO₃
Molecular Weight: 284.11
Synonyms: None
SMILES: O=C(C1=CC2=C(NC(C2(C)C)=O)C=C1Br)O
Tpsa: 66.4
Logp: 2.377
H Acceptors: 2
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:
C₁₁H₁₀BrNO₃
Molecular Weight:
284.11
Synonyms:
None
SMILES:
O=C(C1=CC2=C(NC(C2(C)C)=O)C=C1Br)O
Tpsa:
66.4
Logp:
2.377
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
1