CS-0882671
4-(2-Methoxy-2-oxoethyl)-3-nitrobenzoic acid
Manufacturer: ChemScene
CAS Number: 2247536-28-1
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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
C₁₀H₉NO₆
Molecular Weight
239.18
Synonyms
None
SMILES
O=C(O)C1=CC=C(CC(OC)=O)C([N+]([O-])=O)=C1
Tpsa
106.74
Logp
1.0085
H Acceptors
5
H Donors
1
Rotatable Bonds
4
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: C₁₀H₉NO₆
Molecular Weight: 239.18
Synonyms: None
SMILES: O=C(O)C1=CC=C(CC(OC)=O)C([N+]([O-])=O)=C1
Tpsa: 106.74
Logp: 1.0085
H Acceptors: 5
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:
C₁₀H₉NO₆
Molecular Weight:
239.18
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(CC(OC)=O)C([N+]([O-])=O)=C1
Tpsa:
106.74
Logp:
1.0085
H Acceptors:
5
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: C₉H₁₀N₂S₂
Molecular Weight: 210.32
Synonyms: None
SMILES: NC1=C(SC)C=C2N=C(C)SC2=C1
Tpsa: 38.91
Logp: 2.90882
H Acceptors: 4
H Donors: 1
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:
C₉H₁₀N₂S₂
Molecular Weight:
210.32
Synonyms:
None
SMILES:
NC1=C(SC)C=C2N=C(C)SC2=C1
Tpsa:
38.91
Logp:
2.90882
H Acceptors:
4
H Donors:
1
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: C₇H₄BrFN₂S
Molecular Weight: 247.09
Synonyms: None
SMILES: NC1=CC(F)=C2N=C(Br)SC2=C1
Tpsa: 38.91
Logp: 2.7801
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₄BrFN₂S
Molecular Weight:
247.09
Synonyms:
None
SMILES:
NC1=CC(F)=C2N=C(Br)SC2=C1
Tpsa:
38.91
Logp:
2.7801
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₉ClO₄
Molecular Weight: 228.63
Synonyms: None
SMILES: O=C(C1=CC=C(CC(OC)=O)C(Cl)=C1)O
Tpsa: 63.6
Logp: 1.7537
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₉ClO₄
Molecular Weight:
228.63
Synonyms:
None
SMILES:
O=C(C1=CC=C(CC(OC)=O)C(Cl)=C1)O
Tpsa:
63.6
Logp:
1.7537
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
3