CS-0558515
Methyl (E)-4-((3-chloro-4-fluorophenyl)amino)-4-oxobut-2-enoate
Manufacturer: ChemScene
CAS Number: 724736-35-0
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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
C₁₁H₉ClFNO₃
Molecular Weight
257.65
Synonyms
Methyl (2E)-4-[(3-chloro-4-fluorophenyl)-amino]-4-oxobut-2-enoate
SMILES
O=C(OC)/C=C/C(NC1=CC=C(F)C(Cl)=C1)=O
Tpsa
55.4
Logp
2.1468
H Acceptors
3
H Donors
1
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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₉ClFNO₃
Molecular Weight: 257.65
Synonyms: Methyl (2E)-4-[(3-chloro-4-fluorophenyl)-amino]-4-oxobut-2-enoate
SMILES: O=C(OC)/C=C/C(NC1=CC=C(F)C(Cl)=C1)=O
Tpsa: 55.4
Logp: 2.1468
H Acceptors: 3
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:
C₁₁H₉ClFNO₃
Molecular Weight:
257.65
Synonyms:
Methyl (2E)-4-[(3-chloro-4-fluorophenyl)-amino]-4-oxobut-2-enoate
SMILES:
O=C(OC)/C=C/C(NC1=CC=C(F)C(Cl)=C1)=O
Tpsa:
55.4
Logp:
2.1468
H Acceptors:
3
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: C₁₆H₁₇NO
Molecular Weight: 239.31
Synonyms: 3,5-dimethyl-N-(2-methylphenyl)benzamide
SMILES: O=C(NC1=CC=CC=C1C)C2=CC(C)=CC(C)=C2
Tpsa: 29.1
Logp: 3.86416
H Acceptors: 1
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:
C₁₆H₁₇NO
Molecular Weight:
239.31
Synonyms:
3,5-dimethyl-N-(2-methylphenyl)benzamide
SMILES:
O=C(NC1=CC=CC=C1C)C2=CC(C)=CC(C)=C2
Tpsa:
29.1
Logp:
3.86416
H Acceptors:
1
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: C₁₀H₈N₂
Molecular Weight: 156.18
Synonyms: 2-(Cyanomethyl)indole
SMILES: C1=CC=C2C(=C1)C=C(N2)CC#N
Tpsa: 39.58
Logp: 2.23398
H Acceptors: 1
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:
C₁₀H₈N₂
Molecular Weight:
156.18
Synonyms:
2-(Cyanomethyl)indole
SMILES:
C1=CC=C2C(=C1)C=C(N2)CC#N
Tpsa:
39.58
Logp:
2.23398
H Acceptors:
1
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: C₈H₁₂N₂
Molecular Weight: 136.19
Synonyms: None
SMILES: C1CC(C1)CN2C=CN=C2
Tpsa: 17.82
Logp: 1.6832
H Acceptors: 2
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:
C₈H₁₂N₂
Molecular Weight:
136.19
Synonyms:
None
SMILES:
C1CC(C1)CN2C=CN=C2
Tpsa:
17.82
Logp:
1.6832
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2