AX11227
1956310-41-0 | 2-(Azepan-1-yl)-2-(4-chlorophenyl)acetic acid hydrochloride
Manufacturer: A2B Chem
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CatalogNumber
AX11227
ChemicalName
2-(Azepan-1-yl)-2-(4-chlorophenyl)acetic acid hydrochloride
CasNumber
1956310-41-0
MolecularFormula
C14H19Cl2NO2
MolecularWeight
304.2122
MdlNumber
MFCD28991773
Smiles
OC(=O)C(c1ccc(cc1)Cl)N1CCCCCC1.Cl
Complexity
269
Covalently-bondedUnitCount
2
HeavyAtomCount
19
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
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CatalogNumber: AX11227
ChemicalName: 2-(Azepan-1-yl)-2-(4-chlorophenyl)acetic acid hydrochloride
CasNumber: 1956310-41-0
MolecularFormula: C14H19Cl2NO2
MolecularWeight: 304.2122
MdlNumber: MFCD28991773
Smiles: OC(=O)C(c1ccc(cc1)Cl)N1CCCCCC1.Cl
Complexity: 269
Covalently-bondedUnitCount: 2
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AX11227
ChemicalName:
2-(Azepan-1-yl)-2-(4-chlorophenyl)acetic acid hydrochloride
CasNumber:
1956310-41-0
MolecularFormula:
C14H19Cl2NO2
MolecularWeight:
304.2122
MdlNumber:
MFCD28991773
Smiles:
OC(=O)C(c1ccc(cc1)Cl)N1CCCCCC1.Cl
Complexity:
269
Covalently-bondedUnitCount:
2
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
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Smiles: O=C(C(F)(F)F)N1CC2CCC(C1)N2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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__
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Smiles:
O=C(C(F)(F)F)N1CC2CCC(C1)N2
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HeavyAtomCount:
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Smiles: COC(=O)CCC(=O)c1ccccc1O
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Smiles:
COC(=O)CCC(=O)c1ccccc1O
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: CCOC(=O)c1cn(CC)c2c(c1=O)cc(c(n2)C)OCC
Complexity: __
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HeavyAtomCount: __
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CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CCOC(=O)c1cn(CC)c2c(c1=O)cc(c(n2)C)OCC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__