CS-0514138
Methyl 3-oxo-2,3-dihydrobenzo[d]isoxazole-6-carboxylate
Manufacturer: ChemScene
CAS Number: 2091664-01-4
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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
C₉H₇NO₄
Molecular Weight
193.16
Synonyms
None
SMILES
O=C(C1=CC(ON2)=C(C=C1)C2=O)OC
Tpsa
72.3
Logp
0.9077
H Acceptors
4
H Donors
1
Rotatable Bonds
1
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SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
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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: C₉H₇NO₄
Molecular Weight: 193.16
Synonyms: None
SMILES: O=C(C1=CC(ON2)=C(C=C1)C2=O)OC
Tpsa: 72.3
Logp: 0.9077
H Acceptors: 4
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:
C₉H₇NO₄
Molecular Weight:
193.16
Synonyms:
None
SMILES:
O=C(C1=CC(ON2)=C(C=C1)C2=O)OC
Tpsa:
72.3
Logp:
0.9077
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
1
Purity: 95%
MDL No: MFCD16876036
Storage: 4°C, stored under nitrogen
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₆BrNO
Molecular Weight: 224.05
Synonyms: None
SMILES: OC1=CC=C2N=C(Br)C=CC2=C1
Tpsa: 33.12
Logp: 2.7029
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 0
Purity:
95%
MDL No:
MFCD16876036
Storage:
4°C, stored under nitrogen
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₆BrNO
Molecular Weight:
224.05
Synonyms:
None
SMILES:
OC1=CC=C2N=C(Br)C=CC2=C1
Tpsa:
33.12
Logp:
2.7029
H Acceptors:
2
H Donors:
1
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: C₁₀H₉NO₄
Molecular Weight: 207.18
Synonyms: None
SMILES: O=C(C1=CC(ON2)=C(C=C1)C2=O)OCC
Tpsa: 72.3
Logp: 1.2978
H Acceptors: 4
H Donors: 1
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:
C₁₀H₉NO₄
Molecular Weight:
207.18
Synonyms:
None
SMILES:
O=C(C1=CC(ON2)=C(C=C1)C2=O)OCC
Tpsa:
72.3
Logp:
1.2978
H Acceptors:
4
H Donors:
1
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: C₁₃H₁₉FN₂O₂
Molecular Weight: 254.30
Synonyms: None
SMILES: C[C@@H](C1=C(C=CC(NC(OC(C)(C)C)=O)=C1)F)N
Tpsa: 64.35
Logp: 3.1924
H Acceptors: 3
H Donors: 2
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:
C₁₃H₁₉FN₂O₂
Molecular Weight:
254.30
Synonyms:
None
SMILES:
C[C@@H](C1=C(C=CC(NC(OC(C)(C)C)=O)=C1)F)N
Tpsa:
64.35
Logp:
3.1924
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
2