CS-0379867
Methyl 4-chloro-2-fluoro-6-iodobenzoate
Manufacturer: ChemScene
CAS Number: 1401251-30-6
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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
C₈H₅ClFIO₂
Molecular Weight
314.48
Synonyms
Benzoic acid, 4-chloro-2-fluoro-6-iodo-, methyl ester
SMILES
O=C(OC)C1=C(I)C=C(Cl)C=C1F
Tpsa
26.3
Logp
2.8703
H Acceptors
2
H Donors
0
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: C₈H₅ClFIO₂
Molecular Weight: 314.48
Synonyms: Benzoic acid, 4-chloro-2-fluoro-6-iodo-, methyl ester
SMILES: O=C(OC)C1=C(I)C=C(Cl)C=C1F
Tpsa: 26.3
Logp: 2.8703
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:
C₈H₅ClFIO₂
Molecular Weight:
314.48
Synonyms:
Benzoic acid, 4-chloro-2-fluoro-6-iodo-, methyl ester
SMILES:
O=C(OC)C1=C(I)C=C(Cl)C=C1F
Tpsa:
26.3
Logp:
2.8703
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: C₉H₃Cl₂F₃N₂
Molecular Weight: 267.03
Synonyms: None
SMILES: FC(C1=CC2=CC(Cl)=NC(Cl)=C2N=C1)(F)F
Tpsa: 25.78
Logp: 3.9554
H Acceptors: 2
H Donors: 0
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:
C₉H₃Cl₂F₃N₂
Molecular Weight:
267.03
Synonyms:
None
SMILES:
FC(C1=CC2=CC(Cl)=NC(Cl)=C2N=C1)(F)F
Tpsa:
25.78
Logp:
3.9554
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: MFCD19705165
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₃ClN₂O₅
Molecular Weight: 406.86
Synonyms: None
SMILES: O=C(C1=C(C)N=C(COCCN)C(C(OCC)=O)=C1C2=C(Cl)C=CC=C2)OC
Tpsa: 100.74
Logp: 3.14902
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 8
Purity:
98%
MDL No:
MFCD19705165
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₃ClN₂O₅
Molecular Weight:
406.86
Synonyms:
None
SMILES:
O=C(C1=C(C)N=C(COCCN)C(C(OCC)=O)=C1C2=C(Cl)C=CC=C2)OC
Tpsa:
100.74
Logp:
3.14902
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
8
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₀BrNO₂
Molecular Weight: 256.10
Synonyms: 8-Bromo-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid
SMILES: O=C(C1=CC2=C(NCCC2)C(Br)=C1)O
Tpsa: 49.33
Logp: 2.5054
H Acceptors: 2
H Donors: 2
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:
C₁₀H₁₀BrNO₂
Molecular Weight:
256.10
Synonyms:
8-Bromo-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid
SMILES:
O=C(C1=CC2=C(NCCC2)C(Br)=C1)O
Tpsa:
49.33
Logp:
2.5054
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
1