CS-0881913
2-Cyano-3-(methylamino)benzoic acid
Manufacturer: ChemScene
CAS Number: 1369869-95-3
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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
C₉H₈N₂O₂
Molecular Weight
176.17
Synonyms
None
SMILES
O=C(O)C1=CC=CC(NC)=C1C#N
Tpsa
73.12
Logp
1.29818
H Acceptors
3
H Donors
2
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: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₈N₂O₂
Molecular Weight: 176.17
Synonyms: None
SMILES: O=C(O)C1=CC=CC(NC)=C1C#N
Tpsa: 73.12
Logp: 1.29818
H Acceptors: 3
H Donors: 2
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:
C₉H₈N₂O₂
Molecular Weight:
176.17
Synonyms:
None
SMILES:
O=C(O)C1=CC=CC(NC)=C1C#N
Tpsa:
73.12
Logp:
1.29818
H Acceptors:
3
H Donors:
2
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: C₉H₇FN₂O₂
Molecular Weight: 194.16
Synonyms: None
SMILES: O=C(C1=NN(C)C2=C1C(F)=CC=C2)O
Tpsa: 55.12
Logp: 1.4106
H Acceptors: 3
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:
C₉H₇FN₂O₂
Molecular Weight:
194.16
Synonyms:
None
SMILES:
O=C(C1=NN(C)C2=C1C(F)=CC=C2)O
Tpsa:
55.12
Logp:
1.4106
H Acceptors:
3
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: C₉H₉N₃O₂
Molecular Weight: 191.19
Synonyms: None
SMILES: O=C(C1=NN(C)C2=C1C(N)=CC=C2)O
Tpsa: 81.14
Logp: 0.8537
H Acceptors: 4
H Donors: 2
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:
C₉H₉N₃O₂
Molecular Weight:
191.19
Synonyms:
None
SMILES:
O=C(C1=NN(C)C2=C1C(N)=CC=C2)O
Tpsa:
81.14
Logp:
0.8537
H Acceptors:
4
H Donors:
2
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: C₇H₁₁FN₂O
Molecular Weight: 158.17
Synonyms: None
SMILES: O=C1NC[C@]2([H])CNCC[C@@]21F
Tpsa: 41.13
Logp: -0.566
H Acceptors: 2
H Donors: 2
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:
C₇H₁₁FN₂O
Molecular Weight:
158.17
Synonyms:
None
SMILES:
O=C1NC[C@]2([H])CNCC[C@@]21F
Tpsa:
41.13
Logp:
-0.566
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
0