CS-0336049
4-((3-Fluoro-4-methylphenyl)amino)-4-oxobut-2-enoic acid
Manufacturer: ChemScene
CAS Number: 282542-05-6
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Purity
98%
MDL No
MFCD00715571
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₁H₁₀FNO₃
Molecular Weight
223.20
Synonyms
(E)-4-(3-fluoro-4-methylanilino)-4-oxo-2-butenoic acid
SMILES
CC1=C(F)C=C(NC(/C=C/C(O)=O)=O)C=C1
Tpsa
66.4
Logp
1.71342
H Acceptors
2
H Donors
2
Rotatable Bonds
3
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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: MFCD00715571
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₀FNO₃
Molecular Weight: 223.20
Synonyms: (E)-4-(3-fluoro-4-methylanilino)-4-oxo-2-butenoic acid
SMILES: CC1=C(F)C=C(NC(/C=C/C(O)=O)=O)C=C1
Tpsa: 66.4
Logp: 1.71342
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD00715571
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₁₀FNO₃
Molecular Weight:
223.20
Synonyms:
(E)-4-(3-fluoro-4-methylanilino)-4-oxo-2-butenoic acid
SMILES:
CC1=C(F)C=C(NC(/C=C/C(O)=O)=O)C=C1
Tpsa:
66.4
Logp:
1.71342
H Acceptors:
2
H Donors:
2
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: C₁₁H₁₃FN₂OS
Molecular Weight: 240.30
Synonyms: None
SMILES: S=C(N1CCOCC1)NC2=CC=CC(F)=C2
Tpsa: 24.5
Logp: 1.8547
H Acceptors: 2
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:
C₁₁H₁₃FN₂OS
Molecular Weight:
240.30
Synonyms:
None
SMILES:
S=C(N1CCOCC1)NC2=CC=CC(F)=C2
Tpsa:
24.5
Logp:
1.8547
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1
Purity: 95+%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₅NO₂
Molecular Weight: 241.29
Synonyms: N,2-Diphenylalanine
SMILES: CC(C1=CC=CC=C1)(C(=O)O)NC2=CC=CC=C2
Tpsa: 49.33
Logp: 3.0985
H Acceptors: 2
H Donors: 2
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:
C₁₅H₁₅NO₂
Molecular Weight:
241.29
Synonyms:
N,2-Diphenylalanine
SMILES:
CC(C1=CC=CC=C1)(C(=O)O)NC2=CC=CC=C2
Tpsa:
49.33
Logp:
3.0985
H Acceptors:
2
H Donors:
2
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: C₁₀H₇Cl₂N₃
Molecular Weight: 240.09
Synonyms: (2,6-Dichloro-pyrimidin-4-yl)-phenyl-amine
SMILES: ClC1=CC(NC2=CC=CC=C2)=NC(Cl)=N1
Tpsa: 37.81
Logp: 3.527
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
95+%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₇Cl₂N₃
Molecular Weight:
240.09
Synonyms:
(2,6-Dichloro-pyrimidin-4-yl)-phenyl-amine
SMILES:
ClC1=CC(NC2=CC=CC=C2)=NC(Cl)=N1
Tpsa:
37.81
Logp:
3.527
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2