AA52701
1214332-25-8 | [4-Nitro-3-(trifluoromethyl)phenyl]acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AA52701
ChemicalName
[4-Nitro-3-(trifluoromethyl)phenyl]acetic acid
CasNumber
1214332-25-8
MolecularFormula
C9H6F3NO4
MolecularWeight
249.1434
MdlNumber
MFCD07779337
Smiles
OC(=O)Cc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-]
Complexity
312
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.1
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CatalogNumber: AA52701
ChemicalName: [4-Nitro-3-(trifluoromethyl)phenyl]acetic acid
CasNumber: 1214332-25-8
MolecularFormula: C9H6F3NO4
MolecularWeight: 249.1434
MdlNumber: MFCD07779337
Smiles: OC(=O)Cc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-]
Complexity: 312
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AA52701
ChemicalName:
[4-Nitro-3-(trifluoromethyl)phenyl]acetic acid
CasNumber:
1214332-25-8
MolecularFormula:
C9H6F3NO4
MolecularWeight:
249.1434
MdlNumber:
MFCD07779337
Smiles:
OC(=O)Cc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-]
Complexity:
312
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: N#CCc1ccc(cc1C)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
N#CCc1ccc(cc1C)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1cncc(c1)c1cccnc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1cncc(c1)c1cccnc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CCc1cccc(c1Br)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CCc1cccc(c1Br)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__