CS-0819079
3-(Methylcarbamoyl)-5-nitrobenzoic acid
Manufacturer: ChemScene
CAS Number: 1954-97-8
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Purity
97%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₉H₈N₂O₅
Molecular Weight
224.17
Synonyms
None
SMILES
O=C(NC)C1=CC(C(O)=O)=CC([N+]([O-])=O)=C1
Tpsa
109.54
Logp
0.6526
H Acceptors
4
H Donors
2
Rotatable Bonds
3
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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-P271-P280-P302+P352-P304+P340-P305+P351+P338-P362+P364-P403+P233-P405-P501
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Purity: 97%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₈N₂O₅
Molecular Weight: 224.17
Synonyms: None
SMILES: O=C(NC)C1=CC(C(O)=O)=CC([N+]([O-])=O)=C1
Tpsa: 109.54
Logp: 0.6526
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 3
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₈N₂O₅
Molecular Weight:
224.17
Synonyms:
None
SMILES:
O=C(NC)C1=CC(C(O)=O)=CC([N+]([O-])=O)=C1
Tpsa:
109.54
Logp:
0.6526
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Store at room temperature, keep dry and cool
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₁₄ClNOS
Molecular Weight: 219.73
Synonyms: None
SMILES: O=C(C1=CSC=C1)CCN(C)C.Cl
Tpsa: 20.31
Logp: 2.3043
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Store at room temperature, keep dry and cool
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₄ClNOS
Molecular Weight:
219.73
Synonyms:
None
SMILES:
O=C(C1=CSC=C1)CCN(C)C.Cl
Tpsa:
20.31
Logp:
2.3043
H Acceptors:
3
H Donors:
0
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: C₅H₆N₂O₃S
Molecular Weight: 174.18
Synonyms: None
SMILES: OC(C1=NSC(OCC)=N1)=O
Tpsa: 72.31
Logp: 0.635
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 3
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₆N₂O₃S
Molecular Weight:
174.18
Synonyms:
None
SMILES:
OC(C1=NSC(OCC)=N1)=O
Tpsa:
72.31
Logp:
0.635
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
3
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₆N₂O₈S
Molecular Weight: 478.52
Synonyms: None
SMILES: O=C(C1=C(NC(C)=O)C=CC=C1C(O)=O)N[C@H](CS(=O)(C)=O)C2=CC(OCC)=C(OC)C=C2
Tpsa: 148.1
Logp: 2.2662
H Acceptors: 7
H Donors: 3
Rotatable Bonds: 10
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₆N₂O₈S
Molecular Weight:
478.52
Synonyms:
None
SMILES:
O=C(C1=C(NC(C)=O)C=CC=C1C(O)=O)N[C@H](CS(=O)(C)=O)C2=CC(OCC)=C(OC)C=C2
Tpsa:
148.1
Logp:
2.2662
H Acceptors:
7
H Donors:
3
Rotatable Bonds:
10