CS-0902418
2-(4-Methoxyphenyl)-3-oxo-3-phenylpropanenitrile
Manufacturer: ChemScene
CAS Number: 5219-04-5
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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
C₁₆H₁₃NO₂
Molecular Weight
251.28
Synonyms
None
SMILES
N#CC(C1=CC=C(OC)C=C1)C(=O)C=2C=CC=CC2
Tpsa
50.09
Logp
3.18528
H Acceptors
3
H Donors
0
Rotatable Bonds
4
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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
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: C₁₆H₁₃NO₂
Molecular Weight: 251.28
Synonyms: None
SMILES: N#CC(C1=CC=C(OC)C=C1)C(=O)C=2C=CC=CC2
Tpsa: 50.09
Logp: 3.18528
H Acceptors: 3
H Donors: 0
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:
C₁₆H₁₃NO₂
Molecular Weight:
251.28
Synonyms:
None
SMILES:
N#CC(C1=CC=C(OC)C=C1)C(=O)C=2C=CC=CC2
Tpsa:
50.09
Logp:
3.18528
H Acceptors:
3
H Donors:
0
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: C₈H₈BrN₃OS
Molecular Weight: 274.14
Synonyms: None
SMILES: O=C(NNC(=S)N)C=1C=CC=C(Br)C1
Tpsa: 67.15
Logp: 0.9271
H Acceptors: 2
H Donors: 3
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₈BrN₃OS
Molecular Weight:
274.14
Synonyms:
None
SMILES:
O=C(NNC(=S)N)C=1C=CC=C(Br)C1
Tpsa:
67.15
Logp:
0.9271
H Acceptors:
2
H Donors:
3
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₄INOS
Molecular Weight: 335.20
Synonyms: None
SMILES: [I-].O(C=1C=CC=2SC(=[N+](C2C1)CC)C)C
Tpsa: 13.11
Logp: -0.47028
H Acceptors: 2
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:
C₁₁H₁₄INOS
Molecular Weight:
335.20
Synonyms:
None
SMILES:
[I-].O(C=1C=CC=2SC(=[N+](C2C1)CC)C)C
Tpsa:
13.11
Logp:
-0.47028
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: MFCD02702403
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₃ClN₂O₂S
Molecular Weight: 296.77
Synonyms: None
SMILES: O=S(=O)(NC=1C=CC=CC1Cl)C2=CC(N)=CC=C2C
Tpsa: 72.19
Logp: 3.03142
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD02702403
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₃ClN₂O₂S
Molecular Weight:
296.77
Synonyms:
None
SMILES:
O=S(=O)(NC=1C=CC=CC1Cl)C2=CC(N)=CC=C2C
Tpsa:
72.19
Logp:
3.03142
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
3