CS-1000407
Benorilate Impurity 3
Manufacturer: ChemScene
CAS Number: 109974-41-6
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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
C₁₇H₁₅NO₅
Molecular Weight
313.30
Synonyms
None
SMILES
O=C(OC=1C=CC=CC1C(=O)C2=CC(=CC=C2O)NC(=O)C)C
Tpsa
92.7
Logp
2.5069
H Acceptors
5
H Donors
2
Rotatable Bonds
4
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: C₁₇H₁₅NO₅
Molecular Weight: 313.30
Synonyms: None
SMILES: O=C(OC=1C=CC=CC1C(=O)C2=CC(=CC=C2O)NC(=O)C)C
Tpsa: 92.7
Logp: 2.5069
H Acceptors: 5
H Donors: 2
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:
C₁₇H₁₅NO₅
Molecular Weight:
313.30
Synonyms:
None
SMILES:
O=C(OC=1C=CC=CC1C(=O)C2=CC(=CC=C2O)NC(=O)C)C
Tpsa:
92.7
Logp:
2.5069
H Acceptors:
5
H Donors:
2
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: C₁₇H₁₅NO₅
Molecular Weight: 313.30
Synonyms: None
SMILES: O=C(OC1=CC=C(C=C1C(=O)C=2C=CC=CC2O)NC(=O)C)C
Tpsa: 92.7
Logp: 2.5069
H Acceptors: 5
H Donors: 2
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:
C₁₇H₁₅NO₅
Molecular Weight:
313.30
Synonyms:
None
SMILES:
O=C(OC1=CC=C(C=C1C(=O)C=2C=CC=CC2O)NC(=O)C)C
Tpsa:
92.7
Logp:
2.5069
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
4
Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₅BrO₃
Molecular Weight: 287.15
Synonyms: None
SMILES: O=C(OCC)C1=CC=C(C=C1OCC)CBr
Tpsa: 35.53
Logp: 3.1569
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 5
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₅BrO₃
Molecular Weight:
287.15
Synonyms:
None
SMILES:
O=C(OCC)C1=CC=C(C=C1OCC)CBr
Tpsa:
35.53
Logp:
3.1569
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₉H₄₂NO₇+
Molecular Weight: 516.65
Synonyms: None
SMILES: C([C@@H]1C=2C(=CC(OC)=C(OC)C2)CC[N@@+]1(CCC(OCCCCCO)=O)C)C3=CC(OC)=C(OC)C=C3
Tpsa: 83.45
Logp: 4.1034
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 14
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₄₂NO₇+
Molecular Weight:
516.65
Synonyms:
None
SMILES:
C([C@@H]1C=2C(=CC(OC)=C(OC)C2)CC[N@@+]1(CCC(OCCCCCO)=O)C)C3=CC(OC)=C(OC)C=C3
Tpsa:
83.45
Logp:
4.1034
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
14