CS-1053595
Ethyl 3-(3-chloro-2-nitrophenyl)-5-methyl-1H-pyrrole-2-carboxylate
Manufacturer: ChemScene
CAS Number: 5875-83-2
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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
C₁₄H₁₃ClN₂O₄
Molecular Weight
308.72
Synonyms
None
SMILES
O=C(C1=C(C2=C([N+]([O-])=O)C(Cl)=CC=C2)C=C(C)N1)OCC
Tpsa
85.23
Logp
3.72842
H Acceptors
4
H Donors
1
Rotatable Bonds
4
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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: C₁₄H₁₃ClN₂O₄
Molecular Weight: 308.72
Synonyms: None
SMILES: O=C(C1=C(C2=C([N+]([O-])=O)C(Cl)=CC=C2)C=C(C)N1)OCC
Tpsa: 85.23
Logp: 3.72842
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₃ClN₂O₄
Molecular Weight:
308.72
Synonyms:
None
SMILES:
O=C(C1=C(C2=C([N+]([O-])=O)C(Cl)=CC=C2)C=C(C)N1)OCC
Tpsa:
85.23
Logp:
3.72842
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₆H₄₉N₁₁O₁₂.xC₂HF₃O₂
Molecular Weight: None
Synonyms: None
SMILES: O=C(N[C@H](C(N[C@@](C(N[C@H](C(N[C@H](C(N[C@H](C(NCCC(N1)=O)=O)CC(N)=O)=O)CC(N)=O)=O)CC(N)=O)=O)([H])[C@@H](C)CC)=O)CC(O)=O)[C@@H]1CC2=CNC3=CC=CC=C23.O=C(C(F)(F)F)O.[x]
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₆H₄₉N₁₁O₁₂.xC₂HF₃O₂
Molecular Weight:
None
Synonyms:
None
SMILES:
O=C(N[C@H](C(N[C@@](C(N[C@H](C(N[C@H](C(N[C@H](C(NCCC(N1)=O)=O)CC(N)=O)=O)CC(N)=O)=O)CC(N)=O)=O)([H])[C@@H](C)CC)=O)CC(O)=O)[C@@H]1CC2=CNC3=CC=CC=C23.O=C(C(F)(F)F)O.[x]
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₉F₂NO₂S
Molecular Weight: 233.24
Synonyms: None
SMILES: NC1=C2C(C(F)(F)CCS2(=O)=O)=CC=C1
Tpsa: 60.16
Logp: 1.538
H Acceptors: 3
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:
C₉H₉F₂NO₂S
Molecular Weight:
233.24
Synonyms:
None
SMILES:
NC1=C2C(C(F)(F)CCS2(=O)=O)=CC=C1
Tpsa:
60.16
Logp:
1.538
H Acceptors:
3
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: C₈H₇BrO₃S
Molecular Weight: 263.11
Synonyms: None
SMILES: OC(C1)C2=CC=CC(Br)=C2S1(=O)=O
Tpsa: 54.37
Logp: 1.2698
H Acceptors: 3
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:
C₈H₇BrO₃S
Molecular Weight:
263.11
Synonyms:
None
SMILES:
OC(C1)C2=CC=CC(Br)=C2S1(=O)=O
Tpsa:
54.37
Logp:
1.2698
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
0