AB56451
3205-25-2 | 1-(2-Nitrophenyl)ethanol
Manufacturer: A2B Chem
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CatalogNumber
AB56451
ChemicalName
1-(2-Nitrophenyl)ethanol
CasNumber
3205-25-2
MolecularFormula
C8H9NO3
MolecularWeight
167.162
MdlNumber
MFCD02683380
Smiles
[O-][N+](=O)c1ccccc1C(O)C
NscNumber
47195
Complexity
166
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
1.5
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CatalogNumber: AB56451
ChemicalName: 1-(2-Nitrophenyl)ethanol
CasNumber: 3205-25-2
MolecularFormula: C8H9NO3
MolecularWeight: 167.162
MdlNumber: MFCD02683380
Smiles: [O-][N+](=O)c1ccccc1C(O)C
NscNumber: 47195
Complexity: 166
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.5
CatalogNumber:
AB56451
ChemicalName:
1-(2-Nitrophenyl)ethanol
CasNumber:
3205-25-2
MolecularFormula:
C8H9NO3
MolecularWeight:
167.162
MdlNumber:
MFCD02683380
Smiles:
[O-][N+](=O)c1ccccc1C(O)C
NscNumber:
47195
Complexity:
166
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1ccccc1N1CCNCC1
NscNumber: __
Complexity: 223
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1ccccc1N1CCNCC1
NscNumber:
__
Complexity:
223
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=N(=O)c1ccccc1n1cccc1
NscNumber: __
Complexity: 209
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=N(=O)c1ccccc1n1cccc1
NscNumber:
__
Complexity:
209
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.1
CatalogNumber: AB56454
ChemicalName: 1-(2-Nitrophenyl)thiourea
CasNumber: 51039-84-0
MolecularFormula: C7H7N3O2S
MolecularWeight: 197.2144
MdlNumber: MFCD00041237
Smiles: NC(=S)Nc1ccccc1[N+](=O)[O-]
NscNumber: 207834
Complexity: 216
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 1
CatalogNumber:
AB56454
ChemicalName:
1-(2-Nitrophenyl)thiourea
CasNumber:
51039-84-0
MolecularFormula:
C7H7N3O2S
MolecularWeight:
197.2144
MdlNumber:
MFCD00041237
Smiles:
NC(=S)Nc1ccccc1[N+](=O)[O-]
NscNumber:
207834
Complexity:
216
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
1