AI59662
887969-56-4 | Methyl 3-(3-bromophenyl)-2-((tert-butoxycarbonyl)amino)-2-methylpropanoate
Manufacturer: A2B Chem
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CatalogNumber
AI59662
ChemicalName
Methyl 3-(3-bromophenyl)-2-((tert-butoxycarbonyl)amino)-2-methylpropanoate
CasNumber
887969-56-4
MolecularFormula
C16H22BrNO4
MolecularWeight
372.2542
MdlNumber
MFCD30185886
Smiles
COC(=O)C(Cc1cccc(c1)Br)(NC(=O)OC(C)(C)C)C
Complexity
407
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
7
UndefinedAtomStereocenterCount
1
Xlogp3
3.7
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CatalogNumber: AI59662
ChemicalName: Methyl 3-(3-bromophenyl)-2-((tert-butoxycarbonyl)amino)-2-methylpropanoate
CasNumber: 887969-56-4
MolecularFormula: C16H22BrNO4
MolecularWeight: 372.2542
MdlNumber: MFCD30185886
Smiles: COC(=O)C(Cc1cccc(c1)Br)(NC(=O)OC(C)(C)C)C
Complexity: 407
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 7
UndefinedAtomStereocenterCount: 1
Xlogp3: 3.7
CatalogNumber:
AI59662
ChemicalName:
Methyl 3-(3-bromophenyl)-2-((tert-butoxycarbonyl)amino)-2-methylpropanoate
CasNumber:
887969-56-4
MolecularFormula:
C16H22BrNO4
MolecularWeight:
372.2542
MdlNumber:
MFCD30185886
Smiles:
COC(=O)C(Cc1cccc(c1)Br)(NC(=O)OC(C)(C)C)C
Complexity:
407
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
7
UndefinedAtomStereocenterCount:
1
Xlogp3:
3.7
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Smiles: CCSC1=CC=C(C=C1)C2=CC(=CN=C2)C(=O)O
Complexity: __
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Smiles:
CCSC1=CC=C(C=C1)C2=CC(=CN=C2)C(=O)O
Complexity:
__
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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Smiles: COc1ccc(c(c1)OC)c1cncc(c1)C(=O)O
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Smiles:
COc1ccc(c(c1)OC)c1cncc(c1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: COC1=C(C=C(C=C1)F)C2=CC(=CN=C2)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC1=C(C=C(C=C1)F)C2=CC(=CN=C2)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__