CS-0360351
4-Chloro-3-((pyridin-2-ylmethyl)amino)benzoic acid
Manufacturer: ChemScene
CAS Number: 878714-48-8
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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
C₁₃H₁₁ClN₂O₂
Molecular Weight
262.69
Synonyms
4-Chloro-3-[(2-pyridinylmethyl)amino]benzoic acid
SMILES
C1=CC=NC(=C1)CNC2=C(C=CC(=C2)C(=O)O)Cl
Tpsa
62.22
Logp
3.0453
H Acceptors
3
H Donors
2
Rotatable Bonds
4
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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: C₁₃H₁₁ClN₂O₂
Molecular Weight: 262.69
Synonyms: 4-Chloro-3-[(2-pyridinylmethyl)amino]benzoic acid
SMILES: C1=CC=NC(=C1)CNC2=C(C=CC(=C2)C(=O)O)Cl
Tpsa: 62.22
Logp: 3.0453
H Acceptors: 3
H Donors: 2
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:
C₁₃H₁₁ClN₂O₂
Molecular Weight:
262.69
Synonyms:
4-Chloro-3-[(2-pyridinylmethyl)amino]benzoic acid
SMILES:
C1=CC=NC(=C1)CNC2=C(C=CC(=C2)C(=O)O)Cl
Tpsa:
62.22
Logp:
3.0453
H Acceptors:
3
H Donors:
2
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: C₉H₅ClF₃NO₃
Molecular Weight: 267.59
Synonyms: 4-chloro-3-[(trifluoroacetyl)amino]benzoic acid
SMILES: O=C(O)C1=CC(NC(C(F)(F)F)=O)=C(Cl)C=C1
Tpsa: 66.4
Logp: 2.539
H Acceptors: 2
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:
C₉H₅ClF₃NO₃
Molecular Weight:
267.59
Synonyms:
4-chloro-3-[(trifluoroacetyl)amino]benzoic acid
SMILES:
O=C(O)C1=CC(NC(C(F)(F)F)=O)=C(Cl)C=C1
Tpsa:
66.4
Logp:
2.539
H Acceptors:
2
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: C₆H₅Cl₂NO₂S
Molecular Weight: 226.08
Synonyms: None
SMILES: C(CN1C(=C(C=O)SC1=O)Cl)Cl
Tpsa: 39.07
Logp: 1.6145
H Acceptors: 4
H Donors: 0
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:
C₆H₅Cl₂NO₂S
Molecular Weight:
226.08
Synonyms:
None
SMILES:
C(CN1C(=C(C=O)SC1=O)Cl)Cl
Tpsa:
39.07
Logp:
1.6145
H Acceptors:
4
H Donors:
0
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: C₅H₂ClI₂N
Molecular Weight: 365.34
Synonyms: None
SMILES: C1=NC=C(C(=C1I)Cl)I
Tpsa: 12.89
Logp: 2.9442
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 0
Purity:
97%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₂ClI₂N
Molecular Weight:
365.34
Synonyms:
None
SMILES:
C1=NC=C(C(=C1I)Cl)I
Tpsa:
12.89
Logp:
2.9442
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
0