CS-0636915
Methyl 2-amino-4-chloro-3-iodo-5-(trifluoromethyl)benzoate
Manufacturer: ChemScene
CAS Number: 2655729-05-6
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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
C₉H₆ClF₃INO₂
Molecular Weight
379.50
Synonyms
None
SMILES
O=C(OC)C1=CC(C(F)(F)F)=C(Cl)C(I)=C1N
Tpsa
52.32
Logp
3.3322
H Acceptors
3
H Donors
1
Rotatable Bonds
1
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: C₉H₆ClF₃INO₂
Molecular Weight: 379.50
Synonyms: None
SMILES: O=C(OC)C1=CC(C(F)(F)F)=C(Cl)C(I)=C1N
Tpsa: 52.32
Logp: 3.3322
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:
C₉H₆ClF₃INO₂
Molecular Weight:
379.50
Synonyms:
None
SMILES:
O=C(OC)C1=CC(C(F)(F)F)=C(Cl)C(I)=C1N
Tpsa:
52.32
Logp:
3.3322
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: C₁₂H₂₂N₂O₄
Molecular Weight: 258.31
Synonyms: None
SMILES: O=C(N1[C@H](C(OC)=O)C[C@@H](N)CC1)OC(C)(C)C
Tpsa: 81.86
Logp: 0.8862
H Acceptors: 5
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:
C₁₂H₂₂N₂O₄
Molecular Weight:
258.31
Synonyms:
None
SMILES:
O=C(N1[C@H](C(OC)=O)C[C@@H](N)CC1)OC(C)(C)C
Tpsa:
81.86
Logp:
0.8862
H Acceptors:
5
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: C₁₃H₂₁BN₂O₃
Molecular Weight: 264.13
Synonyms: None
SMILES: CC(C(N1N=CC(B2OC(C)(C)C(C)(C)O2)=C1)C)=O
Tpsa: 53.35
Logp: 1.3323
H Acceptors: 5
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:
C₁₃H₂₁BN₂O₃
Molecular Weight:
264.13
Synonyms:
None
SMILES:
CC(C(N1N=CC(B2OC(C)(C)C(C)(C)O2)=C1)C)=O
Tpsa:
53.35
Logp:
1.3323
H Acceptors:
5
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: C₈H₁₂FNO
Molecular Weight: 157.19
Synonyms: None
SMILES: O=C[C@]12CCCN1C[C@H](F)C2
Tpsa: 20.31
Logp: 0.7617
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:
C₈H₁₂FNO
Molecular Weight:
157.19
Synonyms:
None
SMILES:
O=C[C@]12CCCN1C[C@H](F)C2
Tpsa:
20.31
Logp:
0.7617
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
1