CS-1002075
Efavirenz Impurity 38
Manufacturer: ChemScene
CAS Number: 1783698-38-3
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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
C₈H₇ClF₃NO
Molecular Weight
225.60
Synonyms
None
SMILES
FC(F)(F)C(O)C1=CC(Cl)=CC=C1N
Tpsa
46.25
Logp
2.5179
H Acceptors
2
H Donors
2
Rotatable Bonds
1
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
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: C₈H₇ClF₃NO
Molecular Weight: 225.60
Synonyms: None
SMILES: FC(F)(F)C(O)C1=CC(Cl)=CC=C1N
Tpsa: 46.25
Logp: 2.5179
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:
C₈H₇ClF₃NO
Molecular Weight:
225.60
Synonyms:
None
SMILES:
FC(F)(F)C(O)C1=CC(Cl)=CC=C1N
Tpsa:
46.25
Logp:
2.5179
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
1
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₀N₄O₄S
Molecular Weight: 246.24
Synonyms: None
SMILES: C(\C(NCC(O)O)=O)(=N\O)/C=1N=C(N)SC1
Tpsa: 141.06
Logp: -1.6695
H Acceptors: 8
H Donors: 5
Rotatable Bonds: 4
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₀N₄O₄S
Molecular Weight:
246.24
Synonyms:
None
SMILES:
C(\C(NCC(O)O)=O)(=N\O)/C=1N=C(N)SC1
Tpsa:
141.06
Logp:
-1.6695
H Acceptors:
8
H Donors:
5
Rotatable Bonds:
4
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₅N₅O₆S₂
Molecular Weight: 413.43
Synonyms: None
SMILES: O=C(O)C(NC(=O)C(=NO)C=1N=C(SC1)N)C2SCC3=C(N2)C(=O)OC3C
Tpsa: 176.23
Logp: -0.6651
H Acceptors: 11
H Donors: 5
Rotatable Bonds: 5
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₅N₅O₆S₂
Molecular Weight:
413.43
Synonyms:
None
SMILES:
O=C(O)C(NC(=O)C(=NO)C=1N=C(SC1)N)C2SCC3=C(N2)C(=O)OC3C
Tpsa:
176.23
Logp:
-0.6651
H Acceptors:
11
H Donors:
5
Rotatable Bonds:
5
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₂₁ClO₆
Molecular Weight: 440.87
Synonyms: None
SMILES: C(=C/C(COC1=CC(Cl)=CC=C1)=O)\[C@@H]2[C@@]3([C@](C[C@H]2OC(=O)C4=CC=CC=C4)(OC(=O)C3)[H])[H]
Tpsa: 78.9
Logp: 4.0213
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 7
Purity:
≥95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₂₁ClO₆
Molecular Weight:
440.87
Synonyms:
None
SMILES:
C(=C/C(COC1=CC(Cl)=CC=C1)=O)\[C@@H]2[C@@]3([C@](C[C@H]2OC(=O)C4=CC=CC=C4)(OC(=O)C3)[H])[H]
Tpsa:
78.9
Logp:
4.0213
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
7