AC67782
716-61-0 | (1R,2R)-(-)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol
Manufacturer: A2B Chem
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CatalogNumber
AC67782
ChemicalName
(1R,2R)-(-)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol
CasNumber
716-61-0
MolecularFormula
C9H12N2O4
MolecularWeight
212.2026
MdlNumber
MFCD00078126
Smiles
OC[C@H]([C@@H](c1ccc(cc1)N(=O)=O)O)N
Complexity
211
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
3
Xlogp3
-0.7
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CatalogNumber: AC67782
ChemicalName: (1R,2R)-(-)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol
CasNumber: 716-61-0
MolecularFormula: C9H12N2O4
MolecularWeight: 212.2026
MdlNumber: MFCD00078126
Smiles: OC[C@H]([C@@H](c1ccc(cc1)N(=O)=O)O)N
Complexity: 211
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 3
Xlogp3: -0.7
CatalogNumber:
AC67782
ChemicalName:
(1R,2R)-(-)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol
CasNumber:
716-61-0
MolecularFormula:
C9H12N2O4
MolecularWeight:
212.2026
MdlNumber:
MFCD00078126
Smiles:
OC[C@H]([C@@H](c1ccc(cc1)N(=O)=O)O)N
Complexity:
211
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
3
Xlogp3:
-0.7
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Smiles: OCC/C=C/CCO
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OCC/C=C/CCO
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Smiles: CCCCN(C(=O)c1cccnc1)CCCC
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Smiles:
CCCCN(C(=O)c1cccnc1)CCCC
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HeavyAtomCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CCCCCCOC(=O)c1ccncc1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCCCCCOC(=O)c1ccncc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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