CS-0260554
3-(4-Hydroxyphenyl)-10-nitro-3-azatricyclo[7.3.1.0,5,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione
Manufacturer: ChemScene
CAS Number: 42388-17-0
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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
C₁₈H₁₀N₂O₅
Molecular Weight
334.28
Synonyms
None
SMILES
O=C(N(C1=CC=C(O)C=C1)C(C2=CC=C3)=O)C4=C2C3=C([N+]([O-])=O)C=C4
Tpsa
100.75
Logp
3.2542
H Acceptors
5
H Donors
1
Rotatable Bonds
2
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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
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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: C₁₈H₁₀N₂O₅
Molecular Weight: 334.28
Synonyms: None
SMILES: O=C(N(C1=CC=C(O)C=C1)C(C2=CC=C3)=O)C4=C2C3=C([N+]([O-])=O)C=C4
Tpsa: 100.75
Logp: 3.2542
H Acceptors: 5
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:
C₁₈H₁₀N₂O₅
Molecular Weight:
334.28
Synonyms:
None
SMILES:
O=C(N(C1=CC=C(O)C=C1)C(C2=CC=C3)=O)C4=C2C3=C([N+]([O-])=O)C=C4
Tpsa:
100.75
Logp:
3.2542
H Acceptors:
5
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: C₁₀H₈F₃N₃O
Molecular Weight: 243.19
Synonyms: 5-[[4-(Trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-amine
SMILES: NC1=NOC(CC2=CC=C(C(F)(F)F)C=C2)=N1
Tpsa: 64.94
Logp: 2.2614
H Acceptors: 4
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:
C₁₀H₈F₃N₃O
Molecular Weight:
243.19
Synonyms:
5-[[4-(Trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-amine
SMILES:
NC1=NOC(CC2=CC=C(C(F)(F)F)C=C2)=N1
Tpsa:
64.94
Logp:
2.2614
H Acceptors:
4
H Donors:
1
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: C₁₃H₁₉BrN₂O₂S
Molecular Weight: 347.27
Synonyms: None
SMILES: NC1CN(CCS(=O)(C2=CC=C(Br)C=C2)=O)CCC1
Tpsa: 63.4
Logp: 1.6459
H Acceptors: 4
H Donors: 1
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:
C₁₃H₁₉BrN₂O₂S
Molecular Weight:
347.27
Synonyms:
None
SMILES:
NC1CN(CCS(=O)(C2=CC=C(Br)C=C2)=O)CCC1
Tpsa:
63.4
Logp:
1.6459
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: C₁₃H₂₀N₄O
Molecular Weight: 248.32
Synonyms: None
SMILES: O=C(C1=CC(NN)=NC=C1)NCC2CCCCC2
Tpsa: 80.04
Logp: 1.6773
H Acceptors: 4
H Donors: 3
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:
C₁₃H₂₀N₄O
Molecular Weight:
248.32
Synonyms:
None
SMILES:
O=C(C1=CC(NN)=NC=C1)NCC2CCCCC2
Tpsa:
80.04
Logp:
1.6773
H Acceptors:
4
H Donors:
3
Rotatable Bonds:
4