AB55800
84249-39-8 | (S)-(-)-2-(Alpha-methylbenzylamino)-5-nitropyridine
Manufacturer: A2B Chem
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CatalogNumber
AB55800
ChemicalName
(S)-(-)-2-(Alpha-methylbenzylamino)-5-nitropyridine
CasNumber
84249-39-8
MolecularFormula
C13H13N3O2
MolecularWeight
243.2612
MdlNumber
MFCD21092079
Smiles
C[C@@H](c1ccccc1)Nc1ccc(cn1)[N+](=O)[O-]
Complexity
274
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.9
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CatalogNumber: AB55800
ChemicalName: (S)-(-)-2-(Alpha-methylbenzylamino)-5-nitropyridine
CasNumber: 84249-39-8
MolecularFormula: C13H13N3O2
MolecularWeight: 243.2612
MdlNumber: MFCD21092079
Smiles: C[C@@H](c1ccccc1)Nc1ccc(cn1)[N+](=O)[O-]
Complexity: 274
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.9
CatalogNumber:
AB55800
ChemicalName:
(S)-(-)-2-(Alpha-methylbenzylamino)-5-nitropyridine
CasNumber:
84249-39-8
MolecularFormula:
C13H13N3O2
MolecularWeight:
243.2612
MdlNumber:
MFCD21092079
Smiles:
C[C@@H](c1ccccc1)Nc1ccc(cn1)[N+](=O)[O-]
Complexity:
274
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.9
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Smiles: COC[C@@H]1CCCN1C=O
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Smiles:
COC[C@@H]1CCCN1C=O
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Smiles: C[C@@H](C(=O)O)OC(=O)Nc1ccccc1
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Smiles:
C[C@@H](C(=O)O)OC(=O)Nc1ccccc1
Complexity:
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Covalently-bondedUnitCount:
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: Cc1cc(C)cc(c1)P(c1ccc2c(c1c1c(ccc3c1cccc3)P(c1cc(C)cc(c1)C)c1cc(C)cc(c1)C)cccc2)c1cc(C)cc(c1)C
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
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HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
Cc1cc(C)cc(c1)P(c1ccc2c(c1c1c(ccc3c1cccc3)P(c1cc(C)cc(c1)C)c1cc(C)cc(c1)C)cccc2)c1cc(C)cc(c1)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__