CS-0909453
1H-Indazole-1-carboxylic acid, 3-[bis[(1,1-dimethylethoxy)carbonyl]amino]-5-bromo-, 1,1-dimethylethyl ester
Manufacturer: ChemScene
CAS Number: 1093307-36-8
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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
C₂₂H₃₀BrN₃O₆
Molecular Weight
512.39
Synonyms
None
SMILES
O=C(N1N=C(N(C(OC(C)(C)C)=O)C(OC(C)(C)C)=O)C2=C1C=CC(Br)=C2)OC(C)(C)C
Tpsa
99.96
Logp
6.2586
H Acceptors
8
H Donors
0
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: C₂₂H₃₀BrN₃O₆
Molecular Weight: 512.39
Synonyms: None
SMILES: O=C(N1N=C(N(C(OC(C)(C)C)=O)C(OC(C)(C)C)=O)C2=C1C=CC(Br)=C2)OC(C)(C)C
Tpsa: 99.96
Logp: 6.2586
H Acceptors: 8
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:
C₂₂H₃₀BrN₃O₆
Molecular Weight:
512.39
Synonyms:
None
SMILES:
O=C(N1N=C(N(C(OC(C)(C)C)=O)C(OC(C)(C)C)=O)C2=C1C=CC(Br)=C2)OC(C)(C)C
Tpsa:
99.96
Logp:
6.2586
H Acceptors:
8
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: C₁₃H₁₁ClFNO₂
Molecular Weight: 267.68
Synonyms: None
SMILES: O=C(C1=C(C)C2=CC(F)=CC=C2N=C1Cl)OCC
Tpsa: 39.19
Logp: 3.51242
H Acceptors: 3
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:
C₁₃H₁₁ClFNO₂
Molecular Weight:
267.68
Synonyms:
None
SMILES:
O=C(C1=C(C)C2=CC(F)=CC=C2N=C1Cl)OCC
Tpsa:
39.19
Logp:
3.51242
H Acceptors:
3
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: C₈H₁₁BrN₂O
Molecular Weight: 231.09
Synonyms: None
SMILES: OCCC1=CC(NN)=CC=C1Br
Tpsa: 58.28
Logp: 1.2695
H Acceptors: 3
H Donors: 3
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:
C₈H₁₁BrN₂O
Molecular Weight:
231.09
Synonyms:
None
SMILES:
OCCC1=CC(NN)=CC=C1Br
Tpsa:
58.28
Logp:
1.2695
H Acceptors:
3
H Donors:
3
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: C₈H₈N₂
Molecular Weight: 132.16
Synonyms: None
SMILES: NNC1=CC=CC(C#C)=C1
Tpsa: 38.05
Logp: 0.9535
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:
C₈H₈N₂
Molecular Weight:
132.16
Synonyms:
None
SMILES:
NNC1=CC=CC(C#C)=C1
Tpsa:
38.05
Logp:
0.9535
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
1