CS-0343638
Methyl 2-fluoro-5-nitro-4-(trifluoromethyl)benzoate
Manufacturer: ChemScene
CAS Number: 2702792-82-1
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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
C₉H₅F₄NO₄
Molecular Weight
267.13
Synonyms
None
SMILES
O=C(OC)C1=CC([N+]([O-])=O)=C(C(F)(F)F)C=C1F
Tpsa
69.44
Logp
2.5393
H Acceptors
4
H Donors
0
Rotatable Bonds
2
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: C₉H₅F₄NO₄
Molecular Weight: 267.13
Synonyms: None
SMILES: O=C(OC)C1=CC([N+]([O-])=O)=C(C(F)(F)F)C=C1F
Tpsa: 69.44
Logp: 2.5393
H Acceptors: 4
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:
C₉H₅F₄NO₄
Molecular Weight:
267.13
Synonyms:
None
SMILES:
O=C(OC)C1=CC([N+]([O-])=O)=C(C(F)(F)F)C=C1F
Tpsa:
69.44
Logp:
2.5393
H Acceptors:
4
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: C₉H₇F₄NO₂
Molecular Weight: 237.15
Synonyms: Benzoic acid, 5-amino-2-fluoro-4-(trifluoromethyl)-, methyl ester
SMILES: O=C(OC)C1=CC(N)=C(C(F)(F)F)C=C1F
Tpsa: 52.32
Logp: 2.2133
H Acceptors: 3
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:
C₉H₇F₄NO₂
Molecular Weight:
237.15
Synonyms:
Benzoic acid, 5-amino-2-fluoro-4-(trifluoromethyl)-, methyl ester
SMILES:
O=C(OC)C1=CC(N)=C(C(F)(F)F)C=C1F
Tpsa:
52.32
Logp:
2.2133
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₅BrF₄O₂
Molecular Weight: 301.03
Synonyms: None
SMILES: O=C(OC)C1=CC(Br)=C(C(F)(F)F)C=C1F
Tpsa: 26.3
Logp: 3.3936
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₅BrF₄O₂
Molecular Weight:
301.03
Synonyms:
None
SMILES:
O=C(OC)C1=CC(Br)=C(C(F)(F)F)C=C1F
Tpsa:
26.3
Logp:
3.3936
H Acceptors:
2
H Donors:
0
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: C₁₁H₁₂F₃NO₆S₂
Molecular Weight: 375.34
Synonyms: (S)-DF 2156A (free base)
SMILES: O=S(C(F)(F)F)(OC1=CC=C([C@H](C)C(NS(=O)(C)=O)=O)C=C1)=O
Tpsa: 106.61
Logp: 1.0943
H Acceptors: 6
H Donors: 1
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:
C₁₁H₁₂F₃NO₆S₂
Molecular Weight:
375.34
Synonyms:
(S)-DF 2156A (free base)
SMILES:
O=S(C(F)(F)F)(OC1=CC=C([C@H](C)C(NS(=O)(C)=O)=O)C=C1)=O
Tpsa:
106.61
Logp:
1.0943
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
5