CS-0528536
Diethyl 2-acetamido-2-(5-fluoro-2-nitrobenzyl)malonate
Manufacturer: ChemScene
CAS Number: 82420-38-0
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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
C₁₆H₁₉FN₂O₇
Molecular Weight
370.33
Synonyms
None
SMILES
O=C(OCC)C(CC1=CC(F)=CC=C1[N+]([O-])=O)(NC(C)=O)C(OCC)=O
Tpsa
124.84
Logp
1.2775
H Acceptors
7
H Donors
1
Rotatable Bonds
8
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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
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: C₁₆H₁₉FN₂O₇
Molecular Weight: 370.33
Synonyms: None
SMILES: O=C(OCC)C(CC1=CC(F)=CC=C1[N+]([O-])=O)(NC(C)=O)C(OCC)=O
Tpsa: 124.84
Logp: 1.2775
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₉FN₂O₇
Molecular Weight:
370.33
Synonyms:
None
SMILES:
O=C(OCC)C(CC1=CC(F)=CC=C1[N+]([O-])=O)(NC(C)=O)C(OCC)=O
Tpsa:
124.84
Logp:
1.2775
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₈FNO₂
Molecular Weight: 263.31
Synonyms: None
SMILES: F[C@@H]1C[C@]2(C(OCC3=CC=CC=C3)=O)CCCN2C1
Tpsa: 29.54
Logp: 2.3062
H Acceptors: 3
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:
C₁₅H₁₈FNO₂
Molecular Weight:
263.31
Synonyms:
None
SMILES:
F[C@@H]1C[C@]2(C(OCC3=CC=CC=C3)=O)CCCN2C1
Tpsa:
29.54
Logp:
2.3062
H Acceptors:
3
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: C₁₅H₁₉NO₃
Molecular Weight: 261.32
Synonyms: None
SMILES: O=C(OCC1=CC=CC=C1)[C@H]2CCCN2C[C@@H]3CO3
Tpsa: 42.07
Logp: 1.593
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₉NO₃
Molecular Weight:
261.32
Synonyms:
None
SMILES:
O=C(OCC1=CC=CC=C1)[C@H]2CCCN2C[C@@H]3CO3
Tpsa:
42.07
Logp:
1.593
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₂O₄
Molecular Weight: 172.18
Synonyms: None
SMILES: O=C(C(C1COCC1)=O)OCC
Tpsa: 52.6
Logp: 0.1551
H Acceptors: 4
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:
C₈H₁₂O₄
Molecular Weight:
172.18
Synonyms:
None
SMILES:
O=C(C(C1COCC1)=O)OCC
Tpsa:
52.6
Logp:
0.1551
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
3