CS-1003534
Letrozole Impurity 52
Manufacturer: ChemScene
CAS Number: 305861-48-7
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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
C₁₂H₉N₇
Molecular Weight
251.25
Synonyms
None
SMILES
N#CC1=CC=C(C=C1)C(N2N=CN=C2)N3N=CN=C3
Tpsa
85.21
Logp
0.83648
H Acceptors
7
H Donors
0
Rotatable Bonds
3
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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: C₁₂H₉N₇
Molecular Weight: 251.25
Synonyms: None
SMILES: N#CC1=CC=C(C=C1)C(N2N=CN=C2)N3N=CN=C3
Tpsa: 85.21
Logp: 0.83648
H Acceptors: 7
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:
C₁₂H₉N₇
Molecular Weight:
251.25
Synonyms:
None
SMILES:
N#CC1=CC=C(C=C1)C(N2N=CN=C2)N3N=CN=C3
Tpsa:
85.21
Logp:
0.83648
H Acceptors:
7
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: C₁₀H₁₃Cl
Molecular Weight: 168.66
Synonyms: None
SMILES: ClCCC=1C(=CC=CC1C)C
Tpsa: 0
Logp: 3.08474
H Acceptors: 0
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:
C₁₀H₁₃Cl
Molecular Weight:
168.66
Synonyms:
None
SMILES:
ClCCC=1C(=CC=CC1C)C
Tpsa:
0
Logp:
3.08474
H Acceptors:
0
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: C₂₁H₂₈O₅
Molecular Weight: 360.44
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(CC3)=CC(=O)C=C4)(C(O)C1)[H])[H])(CC[C@@]2(C(CO)=O)O)[H]
Tpsa: 94.83
Logp: 1.5576
H Acceptors: 5
H Donors: 3
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:
C₂₁H₂₈O₅
Molecular Weight:
360.44
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(CC3)=CC(=O)C=C4)(C(O)C1)[H])[H])(CC[C@@]2(C(CO)=O)O)[H]
Tpsa:
94.83
Logp:
1.5576
H Acceptors:
5
H Donors:
3
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: C₁₀H₁₄O₂
Molecular Weight: 166.22
Synonyms: None
SMILES: OOC(C1=CC=C(C=C1)C)(C)C
Tpsa: 29.46
Logp: 2.71972
H Acceptors: 2
H Donors: 1
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:
C₁₀H₁₄O₂
Molecular Weight:
166.22
Synonyms:
None
SMILES:
OOC(C1=CC=C(C=C1)C)(C)C
Tpsa:
29.46
Logp:
2.71972
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2