CS-0532074
Methyl 3-(difluoromethyl)-2-nitrobenzoate
Manufacturer: ChemScene
CAS Number: 138229-19-3
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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
C₉H₇F₂NO₄
Molecular Weight
231.15
Synonyms
None
SMILES
O=C(OC)C1=CC=CC(C(F)F)=C1[N+]([O-])=O
Tpsa
69.44
Logp
2.319
H Acceptors
4
H Donors
0
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: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₇F₂NO₄
Molecular Weight: 231.15
Synonyms: None
SMILES: O=C(OC)C1=CC=CC(C(F)F)=C1[N+]([O-])=O
Tpsa: 69.44
Logp: 2.319
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:
C₉H₇F₂NO₄
Molecular Weight:
231.15
Synonyms:
None
SMILES:
O=C(OC)C1=CC=CC(C(F)F)=C1[N+]([O-])=O
Tpsa:
69.44
Logp:
2.319
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: C₁₆H₁₆N₄O₅S₂
Molecular Weight: 408.45
Synonyms: N-(4-Aminobenzenesulfonyl) Sulfamethoxazole
SMILES: O=S(NC1=NOC(C)=C1)(C2=CC=C(NS(=O)(C3=CC=C(C=C3)N)=O)C=C2)=O
Tpsa: 144.39
Logp: 2.16682
H Acceptors: 7
H Donors: 3
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₆H₁₆N₄O₅S₂
Molecular Weight:
408.45
Synonyms:
N-(4-Aminobenzenesulfonyl) Sulfamethoxazole
SMILES:
O=S(NC1=NOC(C)=C1)(C2=CC=C(NS(=O)(C3=CC=C(C=C3)N)=O)C=C2)=O
Tpsa:
144.39
Logp:
2.16682
H Acceptors:
7
H Donors:
3
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₇F₃O₂
Molecular Weight: 204.15
Synonyms: Benzeneacetic acid, α,α,4-trifluoro-, Methyl ester
SMILES: O=C(C(F)(C1=CC=C(C=C1)F)F)OC
Tpsa: 26.3
Logp: 2.0905
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:
C₉H₇F₃O₂
Molecular Weight:
204.15
Synonyms:
Benzeneacetic acid, α,α,4-trifluoro-, Methyl ester
SMILES:
O=C(C(F)(C1=CC=C(C=C1)F)F)OC
Tpsa:
26.3
Logp:
2.0905
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: C₁₂H₁₃Br
Molecular Weight: 237.14
Synonyms: None
SMILES: BrC1=CC=CC2=C1C(C3CC3)CC2
Tpsa: 0
Logp: 3.8889
H Acceptors: 0
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:
C₁₂H₁₃Br
Molecular Weight:
237.14
Synonyms:
None
SMILES:
BrC1=CC=CC2=C1C(C3CC3)CC2
Tpsa:
0
Logp:
3.8889
H Acceptors:
0
H Donors:
0
Rotatable Bonds:
1