AF36947
199469-91-5 | 4-Nitro-2-(trifluoromethyl)phenylacetic acid
Manufacturer: A2B Chem
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CatalogNumber
AF36947
ChemicalName
4-Nitro-2-(trifluoromethyl)phenylacetic acid
CasNumber
199469-91-5
MolecularFormula
C9H6F3NO4
MolecularWeight
249.14344959999997
MdlNumber
MFCD11036389
Smiles
OC(=O)Cc1ccc(cc1C(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: AF36947
ChemicalName: 4-Nitro-2-(trifluoromethyl)phenylacetic acid
CasNumber: 199469-91-5
MolecularFormula: C9H6F3NO4
MolecularWeight: 249.14344959999997
MdlNumber: MFCD11036389
Smiles: OC(=O)Cc1ccc(cc1C(F)(F)F)N(=O)=O
Complexity: 312
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AF36947
ChemicalName:
4-Nitro-2-(trifluoromethyl)phenylacetic acid
CasNumber:
199469-91-5
MolecularFormula:
C9H6F3NO4
MolecularWeight:
249.14344959999997
MdlNumber:
MFCD11036389
Smiles:
OC(=O)Cc1ccc(cc1C(F)(F)F)N(=O)=O
Complexity:
312
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: AF36948
ChemicalName: 2-(Ethylamino)benzonitrile
CasNumber: 30091-24-8
MolecularFormula: C9H10N2
MolecularWeight: 146.1891
MdlNumber: MFCD11144683
Smiles: CCNc1ccccc1C#N
Complexity: 156
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AF36948
ChemicalName:
2-(Ethylamino)benzonitrile
CasNumber:
30091-24-8
MolecularFormula:
C9H10N2
MolecularWeight:
146.1891
MdlNumber:
MFCD11144683
Smiles:
CCNc1ccccc1C#N
Complexity:
156
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.5
CatalogNumber: AF36949
ChemicalName: 3-Methoxy-2-nitrophenol
CasNumber: 3114-61-2
MolecularFormula: C7H7NO4
MolecularWeight: 169.13478
MdlNumber: MFCD16876801
Smiles: COc1cccc(c1[N+](=O)[O-])O
Complexity: 167
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.3
CatalogNumber:
AF36949
ChemicalName:
3-Methoxy-2-nitrophenol
CasNumber:
3114-61-2
MolecularFormula:
C7H7NO4
MolecularWeight:
169.13478
MdlNumber:
MFCD16876801
Smiles:
COc1cccc(c1[N+](=O)[O-])O
Complexity:
167
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.3
CatalogNumber: AF36950
ChemicalName: 3-(Ethylamino)-4-nitrophenol
CasNumber: 25186-40-7
MolecularFormula: C8H10N2O3
MolecularWeight: 182.1766
MdlNumber: MFCD25121745
Smiles: [O-][N+](=O)c1ccc(cc1NCC)O
Complexity: 181
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AF36950
ChemicalName:
3-(Ethylamino)-4-nitrophenol
CasNumber:
25186-40-7
MolecularFormula:
C8H10N2O3
MolecularWeight:
182.1766
MdlNumber:
MFCD25121745
Smiles:
[O-][N+](=O)c1ccc(cc1NCC)O
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
2.3