AG79390
58287-18-6 | (1R)-1-(4-Nitrophenyl)ethan-1-ol
Manufacturer: A2B Chem
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CatalogNumber
AG79390
ChemicalName
(1R)-1-(4-Nitrophenyl)ethan-1-ol
CasNumber
58287-18-6
MolecularFormula
C8H9NO3
MolecularWeight
167.16196000000002
MdlNumber
MFCD14705971
Smiles
C[C@H](c1ccc(cc1)N(=O)=O)O
Complexity
158
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.5
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CatalogNumber: AG79390
ChemicalName: (1R)-1-(4-Nitrophenyl)ethan-1-ol
CasNumber: 58287-18-6
MolecularFormula: C8H9NO3
MolecularWeight: 167.16196000000002
MdlNumber: MFCD14705971
Smiles: C[C@H](c1ccc(cc1)N(=O)=O)O
Complexity: 158
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.5
CatalogNumber:
AG79390
ChemicalName:
(1R)-1-(4-Nitrophenyl)ethan-1-ol
CasNumber:
58287-18-6
MolecularFormula:
C8H9NO3
MolecularWeight:
167.16196000000002
MdlNumber:
MFCD14705971
Smiles:
C[C@H](c1ccc(cc1)N(=O)=O)O
Complexity:
158
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: OS(=O)(=O)O.NCCCC[C@@H](C(=O)O)N
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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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:
OS(=O)(=O)O.NCCCC[C@@H](C(=O)O)N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: OC(=O)[C@@H]1CN(CC[C@H]1c1ccccc1)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
OC(=O)[C@@H]1CN(CC[C@H]1c1ccccc1)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1nc2c(n1C)cccn2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1nc2c(n1C)cccn2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__