CS-0750687
5-(((Tert-butoxycarbonyl)amino)methyl)-2-(difluoromethyl)nicotinic acid
Manufacturer: ChemScene
CAS Number: 1415090-15-1
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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
C₁₃H₁₆F₂N₂O₄
Molecular Weight
302.27
Synonyms
None
SMILES
CC(C)(C)OC(=O)NCC1=CC(C(O)=O)=C(N=C1)C(F)F
Tpsa
88.52
Logp
2.7421
H Acceptors
4
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: C₁₃H₁₆F₂N₂O₄
Molecular Weight: 302.27
Synonyms: None
SMILES: CC(C)(C)OC(=O)NCC1=CC(C(O)=O)=C(N=C1)C(F)F
Tpsa: 88.52
Logp: 2.7421
H Acceptors: 4
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:
C₁₃H₁₆F₂N₂O₄
Molecular Weight:
302.27
Synonyms:
None
SMILES:
CC(C)(C)OC(=O)NCC1=CC(C(O)=O)=C(N=C1)C(F)F
Tpsa:
88.52
Logp:
2.7421
H Acceptors:
4
H Donors:
2
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: C₁₂H₁₄ClNO
Molecular Weight: 223.70
Synonyms: None
SMILES: ClC1=CC(C=O)=CC=C1N1CCCCC1
Tpsa: 20.31
Logp: 3.1428
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₄ClNO
Molecular Weight:
223.70
Synonyms:
None
SMILES:
ClC1=CC(C=O)=CC=C1N1CCCCC1
Tpsa:
20.31
Logp:
3.1428
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₅ClFN
Molecular Weight: 181.59
Synonyms: None
SMILES: FC1=CC2=CC=C(Cl)C=C2N=C1
Tpsa: 12.89
Logp: 3.0273
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 0
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₅ClFN
Molecular Weight:
181.59
Synonyms:
None
SMILES:
FC1=CC2=CC=C(Cl)C=C2N=C1
Tpsa:
12.89
Logp:
3.0273
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
0
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₇ClO₃S
Molecular Weight: 218.66
Synonyms: None
SMILES: CS(=O)(=O)C1=CC=C(C=O)C=C1Cl
Tpsa: 51.21
Logp: 1.556
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₇ClO₃S
Molecular Weight:
218.66
Synonyms:
None
SMILES:
CS(=O)(=O)C1=CC=C(C=O)C=C1Cl
Tpsa:
51.21
Logp:
1.556
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
2