AB56530
5400-78-2 | 1-(3-Nitrophenyl)ethanol
Manufacturer: A2B Chem
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CatalogNumber
AB56530
ChemicalName
1-(3-Nitrophenyl)ethanol
CasNumber
5400-78-2
MolecularFormula
C8H9NO3
MolecularWeight
167.16196
MdlNumber
MFCD00053608
Smiles
CC(c1cccc(c1)[N+](=O)[O-])O
NscNumber
10385
Complexity
166
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
1.6
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CatalogNumber: AB56530
ChemicalName: 1-(3-Nitrophenyl)ethanol
CasNumber: 5400-78-2
MolecularFormula: C8H9NO3
MolecularWeight: 167.16196
MdlNumber: MFCD00053608
Smiles: CC(c1cccc(c1)[N+](=O)[O-])O
NscNumber: 10385
Complexity: 166
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.6
CatalogNumber:
AB56530
ChemicalName:
1-(3-Nitrophenyl)ethanol
CasNumber:
5400-78-2
MolecularFormula:
C8H9NO3
MolecularWeight:
167.16196
MdlNumber:
MFCD00053608
Smiles:
CC(c1cccc(c1)[N+](=O)[O-])O
NscNumber:
10385
Complexity:
166
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CNCCN1c1cccc(c1)[N+](=O)[O-]
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CNCCN1c1cccc(c1)[N+](=O)[O-]
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB56532
ChemicalName: 1-(3-Nitrophenylsulfonyl)pyrrolidine
CasNumber: 91619-30-6
MolecularFormula: C10H12N2O4S
MolecularWeight: 256.2783
MdlNumber: MFCD02039471
Smiles: [O-][N+](=O)c1cccc(c1)S(=O)(=O)N1CCCC1
NscNumber: 61569
Complexity: 378
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 1.4
CatalogNumber:
AB56532
ChemicalName:
1-(3-Nitrophenylsulfonyl)pyrrolidine
CasNumber:
91619-30-6
MolecularFormula:
C10H12N2O4S
MolecularWeight:
256.2783
MdlNumber:
MFCD02039471
Smiles:
[O-][N+](=O)c1cccc(c1)S(=O)(=O)N1CCCC1
NscNumber:
61569
Complexity:
378
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=S(=O)(n1nnc2c1cccc2)c1cccnc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=S(=O)(n1nnc2c1cccc2)c1cccnc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__