CS-0370771
tert-Butyl 5-bromo-3-cyano-1H-indazole-1-carboxylate
Manufacturer: ChemScene
CAS Number: 2740549-68-0
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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
C₁₃H₁₂BrN₃O₂
Molecular Weight
322.16
Synonyms
1H-Indazole-1-carboxylic acid, 5-bromo-3-cyano-, 1,1-dimethylethyl ester
SMILES
O=C(N1N=C(C#N)C2=C1C=CC(Br)=C2)OC(C)(C)C
Tpsa
67.91
Logp
3.45368
H Acceptors
5
H Donors
0
Rotatable Bonds
0
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: C₁₃H₁₂BrN₃O₂
Molecular Weight: 322.16
Synonyms: 1H-Indazole-1-carboxylic acid, 5-bromo-3-cyano-, 1,1-dimethylethyl ester
SMILES: O=C(N1N=C(C#N)C2=C1C=CC(Br)=C2)OC(C)(C)C
Tpsa: 67.91
Logp: 3.45368
H Acceptors: 5
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:
C₁₃H₁₂BrN₃O₂
Molecular Weight:
322.16
Synonyms:
1H-Indazole-1-carboxylic acid, 5-bromo-3-cyano-, 1,1-dimethylethyl ester
SMILES:
O=C(N1N=C(C#N)C2=C1C=CC(Br)=C2)OC(C)(C)C
Tpsa:
67.91
Logp:
3.45368
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: MFCD11858465
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₆N₂
Molecular Weight: 128.22
Synonyms: None
SMILES: C[C@H]1CN(CC)CCN1
Tpsa: 15.27
Logp: 0.3
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD11858465
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₆N₂
Molecular Weight:
128.22
Synonyms:
None
SMILES:
C[C@H]1CN(CC)CCN1
Tpsa:
15.27
Logp:
0.3
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: C₁₁H₁₀N₂O₄
Molecular Weight: 234.21
Synonyms: None
SMILES: O=C(C1=CC2=CN=C(OC)N=C2C(OC)=C1)O
Tpsa: 81.54
Logp: 1.3452
H Acceptors: 5
H Donors: 1
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:
C₁₁H₁₀N₂O₄
Molecular Weight:
234.21
Synonyms:
None
SMILES:
O=C(C1=CC2=CN=C(OC)N=C2C(OC)=C1)O
Tpsa:
81.54
Logp:
1.3452
H Acceptors:
5
H Donors:
1
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: C₁₀H₈O₃
Molecular Weight: 176.17
Synonyms: None
SMILES: O=CC1=CC(OC)=C(OC=C2)C2=C1
Tpsa: 39.44
Logp: 2.2539
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:
C₁₀H₈O₃
Molecular Weight:
176.17
Synonyms:
None
SMILES:
O=CC1=CC(OC)=C(OC=C2)C2=C1
Tpsa:
39.44
Logp:
2.2539
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
2