AC96812
68208-26-4 | 3-Amino-3-(4-chloro-phenyl)-propan-1-ol
Manufacturer: A2B Chem
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CatalogNumber
AC96812
ChemicalName
3-Amino-3-(4-chloro-phenyl)-propan-1-ol
CasNumber
68208-26-4
MolecularFormula
C9H12ClNO
MolecularWeight
185.6507
MdlNumber
MFCD03412663
Smiles
OCCC(c1ccc(cc1)Cl)N
Complexity
124
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
1.1
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CatalogNumber: AC96812
ChemicalName: 3-Amino-3-(4-chloro-phenyl)-propan-1-ol
CasNumber: 68208-26-4
MolecularFormula: C9H12ClNO
MolecularWeight: 185.6507
MdlNumber: MFCD03412663
Smiles: OCCC(c1ccc(cc1)Cl)N
Complexity: 124
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.1
CatalogNumber:
AC96812
ChemicalName:
3-Amino-3-(4-chloro-phenyl)-propan-1-ol
CasNumber:
68208-26-4
MolecularFormula:
C9H12ClNO
MolecularWeight:
185.6507
MdlNumber:
MFCD03412663
Smiles:
OCCC(c1ccc(cc1)Cl)N
Complexity:
124
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.1
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Smiles: NCC(c1cccc(c1)C)CO
Complexity: __
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RotatableBondCount: __
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Smiles:
NCC(c1cccc(c1)C)CO
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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Smiles: CCCCCCC1OC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N(C(=O)C1C)C)CC(C)C)C(CC)C)CO)C(O)C
Complexity: __
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HeavyAtomCount: __
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UndefinedAtomStereocenterCount: __
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Smiles:
CCCCCCC1OC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(N(C(=O)C1C)C)CC(C)C)C(CC)C)CO)C(O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: CCCC[Sn](CC(=O)OCC)(CCCC)CCCC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCC[Sn](CC(=O)OCC)(CCCC)CCCC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__