CS-1141561
4-(Benzo[d][1,3]dioxol-5-ylmethyl)-3-methylisoxazol-5(2H)-one
Manufacturer: ChemScene
CAS Number: 128156-32-1
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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
C₁₂H₁₁NO₄
Molecular Weight
233.22
Synonyms
None
SMILES
O=C1ONC(=C1CC2=CC=C3OCOC3=C2)C
Tpsa
64.46
Logp
1.59582
H Acceptors
4
H Donors
1
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: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₁NO₄
Molecular Weight: 233.22
Synonyms: None
SMILES: O=C1ONC(=C1CC2=CC=C3OCOC3=C2)C
Tpsa: 64.46
Logp: 1.59582
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 2
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₁NO₄
Molecular Weight:
233.22
Synonyms:
None
SMILES:
O=C1ONC(=C1CC2=CC=C3OCOC3=C2)C
Tpsa:
64.46
Logp:
1.59582
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₈ClNS
Molecular Weight: 245.72
Synonyms: None
SMILES: S=C1C=2C=CC=CC2NC3=CC(Cl)=CC=C13
Tpsa: 15.79
Logp: 4.70399
H Acceptors: 1
H Donors: 1
Rotatable Bonds: 0
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₈ClNS
Molecular Weight:
245.72
Synonyms:
None
SMILES:
S=C1C=2C=CC=CC2NC3=CC(Cl)=CC=C13
Tpsa:
15.79
Logp:
4.70399
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
0
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₂N₆O₃
Molecular Weight: 240.22
Synonyms: None
SMILES: O=C1N=C(N)NC2=C1N=C(N)N2COCCO
Tpsa: 145.07
Logp: -1.7496
H Acceptors: 8
H Donors: 4
Rotatable Bonds: 4
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₂N₆O₃
Molecular Weight:
240.22
Synonyms:
None
SMILES:
O=C1N=C(N)NC2=C1N=C(N)N2COCCO
Tpsa:
145.07
Logp:
-1.7496
H Acceptors:
8
H Donors:
4
Rotatable Bonds:
4
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₅Cl₃N₂
Molecular Weight: 211.47
Synonyms: None
SMILES: ClC=1C=C(N)C(Cl)=C(Cl)C1N
Tpsa: 52.04
Logp: 2.8112
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 0
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₅Cl₃N₂
Molecular Weight:
211.47
Synonyms:
None
SMILES:
ClC=1C=C(N)C(Cl)=C(Cl)C1N
Tpsa:
52.04
Logp:
2.8112
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
0