AF86525
375853-98-8 | N-BOC-1-(3-bromophenyl)ethanamine
Manufacturer: A2B Chem
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CatalogNumber
AF86525
ChemicalName
N-BOC-1-(3-bromophenyl)ethanamine
CasNumber
375853-98-8
MolecularFormula
C13H18BrNO2
MolecularWeight
300.1915
MdlNumber
MFCD12913697
Smiles
O=C(OC(C)(C)C)NC(c1cccc(c1)Br)C
Complexity
263
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
3.5
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CatalogNumber: AF86525
ChemicalName: N-BOC-1-(3-bromophenyl)ethanamine
CasNumber: 375853-98-8
MolecularFormula: C13H18BrNO2
MolecularWeight: 300.1915
MdlNumber: MFCD12913697
Smiles: O=C(OC(C)(C)C)NC(c1cccc(c1)Br)C
Complexity: 263
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 3.5
CatalogNumber:
AF86525
ChemicalName:
N-BOC-1-(3-bromophenyl)ethanamine
CasNumber:
375853-98-8
MolecularFormula:
C13H18BrNO2
MolecularWeight:
300.1915
MdlNumber:
MFCD12913697
Smiles:
O=C(OC(C)(C)C)NC(c1cccc(c1)Br)C
Complexity:
263
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
3.5
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Smiles: CCCCC/C=C\CC=O
Complexity: __
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Smiles:
CCCCC/C=C\CC=O
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Smiles: CSc1nc(Cl)c(c(n1)Cl)C(=O)N
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Smiles:
CSc1nc(Cl)c(c(n1)Cl)C(=O)N
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: ClCc1sc(nc1C)c1ccc(cc1F)C(F)(F)F
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ChemicalName:
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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:
ClCc1sc(nc1C)c1ccc(cc1F)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__