CS-1002112
Regorafenib Impurity 107
Manufacturer: ChemScene
CAS Number: 1798046-84-0
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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
C₁₂H₈ClFN₂O₂
Molecular Weight
266.66
Synonyms
None
SMILES
O=C(NC1=CC=C(O)C=C1F)C2=NC=CC(Cl)=C2
Tpsa
62.22
Logp
2.832
H Acceptors
3
H Donors
2
Rotatable Bonds
2
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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: C₁₂H₈ClFN₂O₂
Molecular Weight: 266.66
Synonyms: None
SMILES: O=C(NC1=CC=C(O)C=C1F)C2=NC=CC(Cl)=C2
Tpsa: 62.22
Logp: 2.832
H Acceptors: 3
H Donors: 2
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:
C₁₂H₈ClFN₂O₂
Molecular Weight:
266.66
Synonyms:
None
SMILES:
O=C(NC1=CC=C(O)C=C1F)C2=NC=CC(Cl)=C2
Tpsa:
62.22
Logp:
2.832
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
2
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₇NO₄S
Molecular Weight: 283.34
Synonyms: None
SMILES: O=C(N1CCOCC1)CC2=CC=C(C=C2)S(=O)(=O)C
Tpsa: 63.68
Logp: 0.4914
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₇NO₄S
Molecular Weight:
283.34
Synonyms:
None
SMILES:
O=C(N1CCOCC1)CC2=CC=C(C=C2)S(=O)(=O)C
Tpsa:
63.68
Logp:
0.4914
H Acceptors:
4
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: C₁₃H₁₄O
Molecular Weight: 186.25
Synonyms: None
SMILES: O(C=1C=CC2=C(C1)C(C=C)=CCC2)C
Tpsa: 9.23
Logp: 3.2108
H Acceptors: 1
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:
C₁₃H₁₄O
Molecular Weight:
186.25
Synonyms:
None
SMILES:
O(C=1C=CC2=C(C1)C(C=C)=CCC2)C
Tpsa:
9.23
Logp:
3.2108
H Acceptors:
1
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: C₁₄H₁₅N₃NaO₈S
Molecular Weight: 408.34
Synonyms: None
SMILES: [Na].N#CC(=CC=1C=C(OS(=O)(=O)O)C(O)=C(C1)N(=O)=O)C(=O)N(CC)CC
Tpsa: 171.07
Logp: 0.87658
H Acceptors: 8
H Donors: 2
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₅N₃NaO₈S
Molecular Weight:
408.34
Synonyms:
None
SMILES:
[Na].N#CC(=CC=1C=C(OS(=O)(=O)O)C(O)=C(C1)N(=O)=O)C(=O)N(CC)CC
Tpsa:
171.07
Logp:
0.87658
H Acceptors:
8
H Donors:
2
Rotatable Bonds:
7