CS-1069334
Methyl 3-bromo-2-nitro-5-(trifluoromethyl)benzoate
Manufacturer: ChemScene
CAS Number: 2704434-96-6
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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
C₉H₅BrF₃NO₄
Molecular Weight
328.04
Synonyms
None
SMILES
O=C(OC)C1=CC(=CC(Br)=C1N(=O)=O)C(F)(F)F
Tpsa
69.44
Logp
3.1627
H Acceptors
4
H Donors
0
Rotatable Bonds
2
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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: C₉H₅BrF₃NO₄
Molecular Weight: 328.04
Synonyms: None
SMILES: O=C(OC)C1=CC(=CC(Br)=C1N(=O)=O)C(F)(F)F
Tpsa: 69.44
Logp: 3.1627
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:
C₉H₅BrF₃NO₄
Molecular Weight:
328.04
Synonyms:
None
SMILES:
O=C(OC)C1=CC(=CC(Br)=C1N(=O)=O)C(F)(F)F
Tpsa:
69.44
Logp:
3.1627
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: C₉H₇BrN₂O₂
Molecular Weight: 255.07
Synonyms: None
SMILES: O=C1C=C(O)N=C2C(=CC(Br)=CN12)C
Tpsa: 54.6
Logp: 1.47102
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₇BrN₂O₂
Molecular Weight:
255.07
Synonyms:
None
SMILES:
O=C1C=C(O)N=C2C(=CC(Br)=CN12)C
Tpsa:
54.6
Logp:
1.47102
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
0
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=C(C(=C1F)C(F)(F)F)N(=O)=O
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=C(C(=C1F)C(F)(F)F)N(=O)=O
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: C₁₃H₁₆BrNO₂
Molecular Weight: 298.18
Synonyms: None
SMILES: C(OCC1=CC=CC=C1)(=O)N2C[C@@H](CBr)CC2
Tpsa: 29.54
Logp: 3.04
H Acceptors: 2
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:
C₁₃H₁₆BrNO₂
Molecular Weight:
298.18
Synonyms:
None
SMILES:
C(OCC1=CC=CC=C1)(=O)N2C[C@@H](CBr)CC2
Tpsa:
29.54
Logp:
3.04
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
3