AB50353
1211537-27-7 | 6-Cyano-2-(trifluoromethyl)nicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AB50353
ChemicalName
6-Cyano-2-(trifluoromethyl)nicotinic acid
CasNumber
1211537-27-7
MolecularFormula
C8H3F3N2O2
MolecularWeight
216.1168
MdlNumber
MFCD18256578
Smiles
N#Cc1ccc(c(n1)C(F)(F)F)C(=O)O
Complexity
307
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.4
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CatalogNumber: AB50353
ChemicalName: 6-Cyano-2-(trifluoromethyl)nicotinic acid
CasNumber: 1211537-27-7
MolecularFormula: C8H3F3N2O2
MolecularWeight: 216.1168
MdlNumber: MFCD18256578
Smiles: N#Cc1ccc(c(n1)C(F)(F)F)C(=O)O
Complexity: 307
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.4
CatalogNumber:
AB50353
ChemicalName:
6-Cyano-2-(trifluoromethyl)nicotinic acid
CasNumber:
1211537-27-7
MolecularFormula:
C8H3F3N2O2
MolecularWeight:
216.1168
MdlNumber:
MFCD18256578
Smiles:
N#Cc1ccc(c(n1)C(F)(F)F)C(=O)O
Complexity:
307
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(cn1)C(=O)Cc1ccc(cc1)S(=O)(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(cn1)C(=O)Cc1ccc(cc1)S(=O)(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB50355
ChemicalName: 4-Butyl-4'-((4-butyl-2,6-difluorophenyl)ethynyl)-1,1'-biphenyl
CasNumber: 221526-80-3
MolecularFormula: C28H28F2
MolecularWeight: 402.5187
MdlNumber: MFCD30145890
Smiles: CCCCc1ccc(cc1)c1ccc(cc1)C#Cc1c(F)cc(cc1F)CCCC
Complexity: 530
Covalently-bondedUnitCount: 1
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 9
Xlogp3: 9.5
CatalogNumber:
AB50355
ChemicalName:
4-Butyl-4'-((4-butyl-2,6-difluorophenyl)ethynyl)-1,1'-biphenyl
CasNumber:
221526-80-3
MolecularFormula:
C28H28F2
MolecularWeight:
402.5187
MdlNumber:
MFCD30145890
Smiles:
CCCCc1ccc(cc1)c1ccc(cc1)C#Cc1c(F)cc(cc1F)CCCC
Complexity:
530
Covalently-bondedUnitCount:
1
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
9
Xlogp3:
9.5
CatalogNumber: AB50356
ChemicalName: 3-Chlorobenzene-1,2-diamine
CasNumber: 21745-41-5
MolecularFormula: C6H7ClN2
MolecularWeight: 142.5862
MdlNumber: MFCD09881742
Smiles: Nc1c(N)cccc1Cl
Complexity: 97.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: 1.6
CatalogNumber:
AB50356
ChemicalName:
3-Chlorobenzene-1,2-diamine
CasNumber:
21745-41-5
MolecularFormula:
C6H7ClN2
MolecularWeight:
142.5862
MdlNumber:
MFCD09881742
Smiles:
Nc1c(N)cccc1Cl
Complexity:
97.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
1.6