CS-0337419
3-(7-Bromo-3-oxo-2,3-dihydrobenzo[f][1,4]oxazepin-4(5H)-yl)benzonitrile
Manufacturer: ChemScene
CAS Number: 1396808-72-2
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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
C₁₆H₁₁BrN₂O₂
Molecular Weight
343.17
Synonyms
None
SMILES
N#CC1=CC=CC(N2C(COC3=CC=C(Br)C=C3C2)=O)=C1
Tpsa
53.33
Logp
3.24638
H Acceptors
3
H Donors
0
Rotatable Bonds
1
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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: C₁₆H₁₁BrN₂O₂
Molecular Weight: 343.17
Synonyms: None
SMILES: N#CC1=CC=CC(N2C(COC3=CC=C(Br)C=C3C2)=O)=C1
Tpsa: 53.33
Logp: 3.24638
H Acceptors: 3
H Donors: 0
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:
C₁₆H₁₁BrN₂O₂
Molecular Weight:
343.17
Synonyms:
None
SMILES:
N#CC1=CC=CC(N2C(COC3=CC=C(Br)C=C3C2)=O)=C1
Tpsa:
53.33
Logp:
3.24638
H Acceptors:
3
H Donors:
0
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: C₁₁H₈N₆O₂
Molecular Weight: 256.22
Synonyms: None
SMILES: N#CCN1N=C2C=C(C3=NC(C)=NO3)C=CN2C1=O
Tpsa: 102.01
Logp: 0.378
H Acceptors: 8
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:
C₁₁H₈N₆O₂
Molecular Weight:
256.22
Synonyms:
None
SMILES:
N#CCN1N=C2C=C(C3=NC(C)=NO3)C=CN2C1=O
Tpsa:
102.01
Logp:
0.378
H Acceptors:
8
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: C₁₂H₁₄O₄
Molecular Weight: 222.24
Synonyms: {2-methoxy-4-[(1Z)-prop-1-enyl]phenoxy}acetic acid
SMILES: O=C(O)COC1=CC=C(/C=C\C)C=C1OC
Tpsa: 55.76
Logp: 2.1917
H Acceptors: 3
H Donors: 1
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:
C₁₂H₁₄O₄
Molecular Weight:
222.24
Synonyms:
{2-methoxy-4-[(1Z)-prop-1-enyl]phenoxy}acetic acid
SMILES:
O=C(O)COC1=CC=C(/C=C\C)C=C1OC
Tpsa:
55.76
Logp:
2.1917
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
5
Purity: ≥95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C8H4Cl3F3
Molecular Weight: 263.47
Synonyms: None
SMILES: C1=C(C=CC(=C1)C(Cl)(F)F)C(Cl)(Cl)F
Tpsa: 0
Logp: 4.5321
H Acceptors: 0
H Donors: 0
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:
C8H4Cl3F3
Molecular Weight:
263.47
Synonyms:
None
SMILES:
C1=C(C=CC(=C1)C(Cl)(F)F)C(Cl)(Cl)F
Tpsa:
0
Logp:
4.5321
H Acceptors:
0
H Donors:
0
Rotatable Bonds:
2