CS-1141791
1-(3-Methyl-6-nitro-1H-indazol-1-yl)butan-1-one
Manufacturer: ChemScene
CAS Number: 62235-20-5
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Purity
97%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₂H₁₃N₃O₃
Molecular Weight
247.25
Synonyms
None
SMILES
O=C(N1N=C(C=2C=CC(=CC21)N(=O)=O)C)CCC
Tpsa
78.03
Logp
2.69322
H Acceptors
5
H Donors
0
Rotatable Bonds
3
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: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₃N₃O₃
Molecular Weight: 247.25
Synonyms: None
SMILES: O=C(N1N=C(C=2C=CC(=CC21)N(=O)=O)C)CCC
Tpsa: 78.03
Logp: 2.69322
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 3
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₃N₃O₃
Molecular Weight:
247.25
Synonyms:
None
SMILES:
O=C(N1N=C(C=2C=CC(=CC21)N(=O)=O)C)CCC
Tpsa:
78.03
Logp:
2.69322
H Acceptors:
5
H Donors:
0
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: C₁₀H₅F₇O₃
Molecular Weight: 306.14
Synonyms: None
SMILES: O=C(O)C(F)(F)C(F)(F)OC1=CC=CC(=C1)C(F)(F)F
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₅F₇O₃
Molecular Weight:
306.14
Synonyms:
None
SMILES:
O=C(O)C(F)(F)C(F)(F)OC1=CC=CC(=C1)C(F)(F)F
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅H₈O₃
Molecular Weight: 116.12
Synonyms: None
SMILES: C(O)(=O)[C@@H]1[C@@H](O)CC1
Tpsa: 57.53
Logp: -0.1581
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:
C₅H₈O₃
Molecular Weight:
116.12
Synonyms:
None
SMILES:
C(O)(=O)[C@@H]1[C@@H](O)CC1
Tpsa:
57.53
Logp:
-0.1581
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: C₅H₈FN₃O₃S
Molecular Weight: 209.20
Synonyms: None
SMILES: O=S(=O)(F)C1=NN=C(N1)CCOC
Tpsa: 84.94
Logp: -0.3482
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₈FN₃O₃S
Molecular Weight:
209.20
Synonyms:
None
SMILES:
O=S(=O)(F)C1=NN=C(N1)CCOC
Tpsa:
84.94
Logp:
-0.3482
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
4