CS-0648677
Benzoic acid, 5-amino-2-bromo-4-(trifluoromethyl)-, methyl ester
Manufacturer: ChemScene
CAS Number: 1805450-24-1
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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
C₉H₇BrF₃NO₂
Molecular Weight
298.06
Synonyms
None
SMILES
O=C(OC)C1=CC(N)=C(C(F)(F)F)C=C1Br
Tpsa
52.32
Logp
2.8367
H Acceptors
3
H Donors
1
Rotatable Bonds
1
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | eMolecules JW PharmLab LLC / 5-Amino-2-bromo-4-trifluoromethyl-benzoic acid methyl ester / 50mg / 713381518 / 15R0990 / 96.000 / 1805450-24-1 / MFCD28719719 / 298.059 / C9H7BrF3NO2 | eMolecules | ₹ 31,360.31 | |
 | 1805450-24-1 | methyl 5-amino-2-bromo-4-(trifluoromethyl)benzoate | A2B Chem | -- |
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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: C₉H₇BrF₃NO₂
Molecular Weight: 298.06
Synonyms: None
SMILES: O=C(OC)C1=CC(N)=C(C(F)(F)F)C=C1Br
Tpsa: 52.32
Logp: 2.8367
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:
C₉H₇BrF₃NO₂
Molecular Weight:
298.06
Synonyms:
None
SMILES:
O=C(OC)C1=CC(N)=C(C(F)(F)F)C=C1Br
Tpsa:
52.32
Logp:
2.8367
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: C₄₁H₄₉FN₇O₇P
Molecular Weight: 801.84
Synonyms: None
SMILES: CC(C)N(C(C)C)P(OCCC#N)O[C@@H]([C@H]([C@H](N1C2=NC(F)=NC(N)=C2N=C1)O3)OC)[C@H]3COC(C4=CC=C(C=C4)OC)(C5=CC=CC=C5)C6=CC=C(C=C6)OC
Tpsa: 161.26
Logp: 7.14708
H Acceptors: 14
H Donors: 1
Rotatable Bonds: 18
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₁H₄₉FN₇O₇P
Molecular Weight:
801.84
Synonyms:
None
SMILES:
CC(C)N(C(C)C)P(OCCC#N)O[C@@H]([C@H]([C@H](N1C2=NC(F)=NC(N)=C2N=C1)O3)OC)[C@H]3COC(C4=CC=C(C=C4)OC)(C5=CC=CC=C5)C6=CC=C(C=C6)OC
Tpsa:
161.26
Logp:
7.14708
H Acceptors:
14
H Donors:
1
Rotatable Bonds:
18
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₂₆O
Molecular Weight: 198.34
Synonyms: None
SMILES: OC(CC)[C@H]1CC[C@H](C(C)(C)C)CC1
Tpsa: 20.23
Logp: 3.6098
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:
C₁₃H₂₆O
Molecular Weight:
198.34
Synonyms:
None
SMILES:
OC(CC)[C@H]1CC[C@H](C(C)(C)C)CC1
Tpsa:
20.23
Logp:
3.6098
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: C₄₀H₄₆F₂N₇O₆P
Molecular Weight: 789.81
Synonyms: None
SMILES: CC(C)N(C(C)C)P(OCCC#N)O[C@@H]([C@H]([C@H](N1C2=NC(F)=NC(N)=C2N=C1)O3)F)[C@H]3COC(C4=CC=C(C=C4)OC)(C5=CC=CC=C5)C6=CC=C(C=C6)OC
Tpsa: 152.03
Logp: 7.47018
H Acceptors: 13
H Donors: 1
Rotatable Bonds: 17
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₀H₄₆F₂N₇O₆P
Molecular Weight:
789.81
Synonyms:
None
SMILES:
CC(C)N(C(C)C)P(OCCC#N)O[C@@H]([C@H]([C@H](N1C2=NC(F)=NC(N)=C2N=C1)O3)F)[C@H]3COC(C4=CC=C(C=C4)OC)(C5=CC=CC=C5)C6=CC=C(C=C6)OC
Tpsa:
152.03
Logp:
7.47018
H Acceptors:
13
H Donors:
1
Rotatable Bonds:
17