AB50352
121-18-6 | 4-Chloro-3-nitrobenzenesulfonic acid
Manufacturer: A2B Chem
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CatalogNumber
AB50352
ChemicalName
4-Chloro-3-nitrobenzenesulfonic acid
CasNumber
121-18-6
MolecularFormula
C6H4ClNO5S
MolecularWeight
237.6177
MdlNumber
MFCD00274152
Smiles
[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)O
NscNumber
7827
Complexity
318
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1
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CatalogNumber: AB50352
ChemicalName: 4-Chloro-3-nitrobenzenesulfonic acid
CasNumber: 121-18-6
MolecularFormula: C6H4ClNO5S
MolecularWeight: 237.6177
MdlNumber: MFCD00274152
Smiles: [O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)O
NscNumber: 7827
Complexity: 318
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1
CatalogNumber:
AB50352
ChemicalName:
4-Chloro-3-nitrobenzenesulfonic acid
CasNumber:
121-18-6
MolecularFormula:
C6H4ClNO5S
MolecularWeight:
237.6177
MdlNumber:
MFCD00274152
Smiles:
[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)O
NscNumber:
7827
Complexity:
318
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1
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
NscNumber: __
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
NscNumber:
__
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
NscNumber: __
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
NscNumber:
__
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
NscNumber: __
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
NscNumber:
__
Complexity:
530
Covalently-bondedUnitCount:
1
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
9
Xlogp3:
9.5