AA94214
175278-23-6 | 4-Amino-3-(trifluoromethoxy)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AA94214
ChemicalName
4-Amino-3-(trifluoromethoxy)benzonitrile
CasNumber
175278-23-6
MolecularFormula
C8H5F3N2O
MolecularWeight
202.1333
MdlNumber
MFCD00204177
Smiles
N#Cc1ccc(c(c1)OC(F)(F)F)N
Complexity
245
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.1
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CatalogNumber: AA94214
ChemicalName: 4-Amino-3-(trifluoromethoxy)benzonitrile
CasNumber: 175278-23-6
MolecularFormula: C8H5F3N2O
MolecularWeight: 202.1333
MdlNumber: MFCD00204177
Smiles: N#Cc1ccc(c(c1)OC(F)(F)F)N
Complexity: 245
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AA94214
ChemicalName:
4-Amino-3-(trifluoromethoxy)benzonitrile
CasNumber:
175278-23-6
MolecularFormula:
C8H5F3N2O
MolecularWeight:
202.1333
MdlNumber:
MFCD00204177
Smiles:
N#Cc1ccc(c(c1)OC(F)(F)F)N
Complexity:
245
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.1
CatalogNumber: AA94215
ChemicalName: 4-Amino-3-(trifluoromethoxy)benzoic acid
CasNumber: 175278-22-5
MolecularFormula: C8H6F3NO3
MolecularWeight: 221.1333
MdlNumber: MFCD00205143
Smiles: Nc1ccc(cc1OC(F)(F)F)C(=O)O
Complexity: 244
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.9
CatalogNumber:
AA94215
ChemicalName:
4-Amino-3-(trifluoromethoxy)benzoic acid
CasNumber:
175278-22-5
MolecularFormula:
C8H6F3NO3
MolecularWeight:
221.1333
MdlNumber:
MFCD00205143
Smiles:
Nc1ccc(cc1OC(F)(F)F)C(=O)O
Complexity:
244
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.9
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Smiles: OC(=O)c1ccc(c(c1)OC(F)(F)F)C(=O)O
Complexity: __
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Smiles:
OC(=O)c1ccc(c(c1)OC(F)(F)F)C(=O)O
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CCNc1ccc(cc1)OC(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
CCNc1ccc(cc1)OC(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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