CS-1058237
4-Nitro-2-(trifluoromethyl)butanoic acid
Manufacturer: ChemScene
CAS Number: 870703-91-6
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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
C₅H₆F₃NO₄
Molecular Weight
201.10
Synonyms
None
SMILES
O=C(O)C(CCN(=O)=O)C(F)(F)F
Tpsa
80.44
Logp
0.9163
H Acceptors
3
H Donors
1
Rotatable Bonds
4
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: C₅H₆F₃NO₄
Molecular Weight: 201.10
Synonyms: None
SMILES: O=C(O)C(CCN(=O)=O)C(F)(F)F
Tpsa: 80.44
Logp: 0.9163
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₆F₃NO₄
Molecular Weight:
201.10
Synonyms:
None
SMILES:
O=C(O)C(CCN(=O)=O)C(F)(F)F
Tpsa:
80.44
Logp:
0.9163
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₇NO₃
Molecular Weight: 259.30
Synonyms: None
SMILES: O=CC1=CN(C2=C1C=CC=C2CC)CC(=O)OCC
Tpsa: 48.3
Logp: 2.5793
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:
C₁₅H₁₇NO₃
Molecular Weight:
259.30
Synonyms:
None
SMILES:
O=CC1=CN(C2=C1C=CC=C2CC)CC(=O)OCC
Tpsa:
48.3
Logp:
2.5793
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
5
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₅H₁₆N₂O₂
Molecular Weight: 256.30
Synonyms: None
SMILES: O=C(NC1=CC=C(N)C=C1C)C2=CC=C(OC)C=C2
Tpsa: 64.35
Logp: 2.83812
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 3
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₁₆N₂O₂
Molecular Weight:
256.30
Synonyms:
None
SMILES:
O=C(NC1=CC=C(N)C=C1C)C2=CC=C(OC)C=C2
Tpsa:
64.35
Logp:
2.83812
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
3
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₄N₄O
Molecular Weight: 254.29
Synonyms: None
SMILES: N1=C2C=CC=CC2=NN1C3=CC(=CC(N)=C3OC)C
Tpsa: 65.96
Logp: 2.31972
H Acceptors: 5
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:
C₁₄H₁₄N₄O
Molecular Weight:
254.29
Synonyms:
None
SMILES:
N1=C2C=CC=CC2=NN1C3=CC(=CC(N)=C3OC)C
Tpsa:
65.96
Logp:
2.31972
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
2