AB68083
320-37-6 | 4-Nitro-2-(trifluoromethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB68083
ChemicalName
4-Nitro-2-(trifluoromethyl)benzoic acid
CasNumber
320-37-6
MolecularFormula
C8H4F3NO4
MolecularWeight
235.11686959999997
MdlNumber
MFCD04039246
Smiles
[O-][N+](=O)c1ccc(c(c1)C(F)(F)F)C(=O)O
Complexity
299
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.2
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CatalogNumber: AB68083
ChemicalName: 4-Nitro-2-(trifluoromethyl)benzoic acid
CasNumber: 320-37-6
MolecularFormula: C8H4F3NO4
MolecularWeight: 235.11686959999997
MdlNumber: MFCD04039246
Smiles: [O-][N+](=O)c1ccc(c(c1)C(F)(F)F)C(=O)O
Complexity: 299
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.2
CatalogNumber:
AB68083
ChemicalName:
4-Nitro-2-(trifluoromethyl)benzoic acid
CasNumber:
320-37-6
MolecularFormula:
C8H4F3NO4
MolecularWeight:
235.11686959999997
MdlNumber:
MFCD04039246
Smiles:
[O-][N+](=O)c1ccc(c(c1)C(F)(F)F)C(=O)O
Complexity:
299
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.2
CatalogNumber: AB68084
ChemicalName: 4-Nitro-2-(trifluoromethyl)benzonitrile
CasNumber: 320-47-8
MolecularFormula: C8H3F3N2O2
MolecularWeight: 216.1168
MdlNumber: MFCD01075729
Smiles: N#Cc1ccc(cc1C(F)(F)F)[N+](=O)[O-]
Complexity: 301
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.4
CatalogNumber:
AB68084
ChemicalName:
4-Nitro-2-(trifluoromethyl)benzonitrile
CasNumber:
320-47-8
MolecularFormula:
C8H3F3N2O2
MolecularWeight:
216.1168
MdlNumber:
MFCD01075729
Smiles:
N#Cc1ccc(cc1C(F)(F)F)[N+](=O)[O-]
Complexity:
301
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cccc2c1nsn2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1cccc2c1nsn2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cccc2c1CCC2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1cccc2c1CCC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__