CS-0778569
5-Nitro-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)benzonitrile
Manufacturer: ChemScene
CAS Number: 1467037-16-6
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Purity
98%
MDL No
MFCD28246235
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₂H₁₁N₃O₃
Molecular Weight
245.23
Synonyms
None
SMILES
N#CC1=CC([N+]([O-])=O)=CC=C1N(C2)CC32COC3
Tpsa
79.4
Logp
1.30308
H Acceptors
5
H Donors
0
Rotatable Bonds
2
SAFETY INFORMATION
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: MFCD28246235
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₁N₃O₃
Molecular Weight: 245.23
Synonyms: None
SMILES: N#CC1=CC([N+]([O-])=O)=CC=C1N(C2)CC32COC3
Tpsa: 79.4
Logp: 1.30308
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD28246235
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₁N₃O₃
Molecular Weight:
245.23
Synonyms:
None
SMILES:
N#CC1=CC([N+]([O-])=O)=CC=C1N(C2)CC32COC3
Tpsa:
79.4
Logp:
1.30308
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: MFCD28505839
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₄N₂O₄
Molecular Weight: 250.25
Synonyms: None
SMILES: CCOC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-]
Tpsa: 81.47
Logp: 2.3458
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
MFCD28505839
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₄N₂O₄
Molecular Weight:
250.25
Synonyms:
None
SMILES:
CCOC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-]
Tpsa:
81.47
Logp:
2.3458
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
5
Purity: 98%
MDL No: MFCD28968118
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₁₁N₃S₂
Molecular Weight: 201.31
Synonyms: None
SMILES: C1CC(C1)CSC2=NN=C(S2)N
Tpsa: 51.8
Logp: 2.0125
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD28968118
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₁₁N₃S₂
Molecular Weight:
201.31
Synonyms:
None
SMILES:
C1CC(C1)CSC2=NN=C(S2)N
Tpsa:
51.8
Logp:
2.0125
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
3
Purity: 98%
MDL No: MFCD28714741
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₆FNO
Molecular Weight: 233.28
Synonyms: None
SMILES: C1CCC(CC1)COC2=CC(=C(C=C2)C#N)F
Tpsa: 33.02
Logp: 3.65648
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD28714741
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₆FNO
Molecular Weight:
233.28
Synonyms:
None
SMILES:
C1CCC(CC1)COC2=CC(=C(C=C2)C#N)F
Tpsa:
33.02
Logp:
3.65648
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
3