CS-0094179
1-(tert-Butyl) 2-methyl 7-bromo-5-formyl-1H-indole-1,2-dicarboxylate
Manufacturer: ChemScene
CAS Number: 2131194-45-9
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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
C₁₆H₁₆BrNO₅
Molecular Weight
382.21
Synonyms
None
SMILES
O=C(N1C(C(OC)=O)=CC2=C1C(Br)=CC(C=O)=C2)OC(C)(C)C
Tpsa
74.6
Logp
3.7861
H Acceptors
6
H Donors
0
Rotatable Bonds
2
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: C₁₆H₁₆BrNO₅
Molecular Weight: 382.21
Synonyms: None
SMILES: O=C(N1C(C(OC)=O)=CC2=C1C(Br)=CC(C=O)=C2)OC(C)(C)C
Tpsa: 74.6
Logp: 3.7861
H Acceptors: 6
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:
C₁₆H₁₆BrNO₅
Molecular Weight:
382.21
Synonyms:
None
SMILES:
O=C(N1C(C(OC)=O)=CC2=C1C(Br)=CC(C=O)=C2)OC(C)(C)C
Tpsa:
74.6
Logp:
3.7861
H Acceptors:
6
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: C₁₂H₁₂BrNO₄
Molecular Weight: 314.13
Synonyms: None
SMILES: O=C(C1=CC(Br)=C2N(CC)C(COC2=C1)=O)OC
Tpsa: 55.84
Logp: 1.981
H Acceptors: 4
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:
C₁₂H₁₂BrNO₄
Molecular Weight:
314.13
Synonyms:
None
SMILES:
O=C(C1=CC(Br)=C2N(CC)C(COC2=C1)=O)OC
Tpsa:
55.84
Logp:
1.981
H Acceptors:
4
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: C₁₁H₁₂BrNO₃
Molecular Weight: 286.12
Synonyms: None
SMILES: O=C(C1=CC(Br)=C2N(C)CCOC2=C1)OC
Tpsa: 38.77
Logp: 2.0643
H Acceptors: 4
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:
C₁₁H₁₂BrNO₃
Molecular Weight:
286.12
Synonyms:
None
SMILES:
O=C(C1=CC(Br)=C2N(C)CCOC2=C1)OC
Tpsa:
38.77
Logp:
2.0643
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: RT, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₀BrNO₃
Molecular Weight: 272.10
Synonyms: 5-Bromo-3,4-dihydro-2H-benzo[1,4]oxazine-7-carboxylic acid methyl ester
SMILES: O=C(C1=CC(Br)=C2NCCOC2=C1)OC
Tpsa: 47.56
Logp: 2.04
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
RT, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₀BrNO₃
Molecular Weight:
272.10
Synonyms:
5-Bromo-3,4-dihydro-2H-benzo[1,4]oxazine-7-carboxylic acid methyl ester
SMILES:
O=C(C1=CC(Br)=C2NCCOC2=C1)OC
Tpsa:
47.56
Logp:
2.04
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1