AH91211
927801-01-2 | 2-Nitro-5-(trifluoromethyl)phenylacetic acid
Manufacturer: A2B Chem
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CatalogNumber
AH91211
ChemicalName
2-Nitro-5-(trifluoromethyl)phenylacetic acid
CasNumber
927801-01-2
MolecularFormula
C9H6F3NO4
MolecularWeight
249.1434
MdlNumber
MFCD08436986
Smiles
OC(=O)Cc1cc(ccc1[N+](=O)[O-])C(F)(F)F
Complexity
312
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.1
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CatalogNumber: AH91211
ChemicalName: 2-Nitro-5-(trifluoromethyl)phenylacetic acid
CasNumber: 927801-01-2
MolecularFormula: C9H6F3NO4
MolecularWeight: 249.1434
MdlNumber: MFCD08436986
Smiles: OC(=O)Cc1cc(ccc1[N+](=O)[O-])C(F)(F)F
Complexity: 312
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AH91211
ChemicalName:
2-Nitro-5-(trifluoromethyl)phenylacetic acid
CasNumber:
927801-01-2
MolecularFormula:
C9H6F3NO4
MolecularWeight:
249.1434
MdlNumber:
MFCD08436986
Smiles:
OC(=O)Cc1cc(ccc1[N+](=O)[O-])C(F)(F)F
Complexity:
312
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.1
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MolecularFormula: __
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Smiles: Clc1cc(nc2c1cc(cc2)C(F)(F)F)C(Cl)(Cl)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Clc1cc(nc2c1cc(cc2)C(F)(F)F)C(Cl)(Cl)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
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Smiles: CCOC(=O)C1=C(N=C(S1)N2CCNCC2)C3=CC=C(C=C3)OC(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
__
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Smiles:
CCOC(=O)C1=C(N=C(S1)N2CCNCC2)C3=CC=C(C=C3)OC(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: N1CCC(CC1)c1ccc2c(c1)[nH]cc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
N1CCC(CC1)c1ccc2c(c1)[nH]cc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__