CS-0887512
2-Amino-4-cyano-3-methylbenzoic acid
Manufacturer: ChemScene
CAS Number: 2385725-64-2
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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
C₉H₈N₂O₂
Molecular Weight
176.17
Synonyms
None
SMILES
O=C(O)C1=CC=C(C#N)C(C)=C1N
Tpsa
87.11
Logp
1.1471
H Acceptors
3
H Donors
2
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: C₉H₈N₂O₂
Molecular Weight: 176.17
Synonyms: None
SMILES: O=C(O)C1=CC=C(C#N)C(C)=C1N
Tpsa: 87.11
Logp: 1.1471
H Acceptors: 3
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:
C₉H₈N₂O₂
Molecular Weight:
176.17
Synonyms:
None
SMILES:
O=C(O)C1=CC=C(C#N)C(C)=C1N
Tpsa:
87.11
Logp:
1.1471
H Acceptors:
3
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: C₉H₆FNO
Molecular Weight: 163.15
Synonyms: None
SMILES: N#CC1=CC=C(C=O)C(F)=C1C
Tpsa: 40.86
Logp: 1.8183
H Acceptors: 2
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:
C₉H₆FNO
Molecular Weight:
163.15
Synonyms:
None
SMILES:
N#CC1=CC=C(C=O)C(F)=C1C
Tpsa:
40.86
Logp:
1.8183
H Acceptors:
2
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: C₁₁H₁₅BrN₂O₂S
Molecular Weight: 319.22
Synonyms: None
SMILES: O=C(N1CC(C2=CSC(Br)=N2)C1)OC(C)(C)C
Tpsa: 42.43
Logp: 3.2399
H Acceptors: 4
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:
C₁₁H₁₅BrN₂O₂S
Molecular Weight:
319.22
Synonyms:
None
SMILES:
O=C(N1CC(C2=CSC(Br)=N2)C1)OC(C)(C)C
Tpsa:
42.43
Logp:
3.2399
H Acceptors:
4
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: C₈H₅FN₂O₂
Molecular Weight: 180.14
Synonyms: None
SMILES: N#CC1=CC=C(F)C([N+]([O-])=O)=C1C
Tpsa: 66.93
Logp: 1.914
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:
C₈H₅FN₂O₂
Molecular Weight:
180.14
Synonyms:
None
SMILES:
N#CC1=CC=C(F)C([N+]([O-])=O)=C1C
Tpsa:
66.93
Logp:
1.914
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1