AA99645
176980-36-2 | 3-(BOC-Amino)benzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AA99645
ChemicalName
3-(BOC-Amino)benzaldehyde
CasNumber
176980-36-2
MolecularFormula
C12H15NO3
MolecularWeight
221.2524
MdlNumber
MFCD06660380
Smiles
O=Cc1cccc(c1)NC(=O)OC(C)(C)C
Complexity
258
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.9
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CatalogNumber: AA99645
ChemicalName: 3-(BOC-Amino)benzaldehyde
CasNumber: 176980-36-2
MolecularFormula: C12H15NO3
MolecularWeight: 221.2524
MdlNumber: MFCD06660380
Smiles: O=Cc1cccc(c1)NC(=O)OC(C)(C)C
Complexity: 258
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.9
CatalogNumber:
AA99645
ChemicalName:
3-(BOC-Amino)benzaldehyde
CasNumber:
176980-36-2
MolecularFormula:
C12H15NO3
MolecularWeight:
221.2524
MdlNumber:
MFCD06660380
Smiles:
O=Cc1cccc(c1)NC(=O)OC(C)(C)C
Complexity:
258
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: CC1=Nc2c(C1(C)C)c1cc(cc(c1cc2)S(=O)(=O)O)S(=O)(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CC1=Nc2c(C1(C)C)c1cc(cc(c1cc2)S(=O)(=O)O)S(=O)(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: COC(=O)c1cc(Cl)ccn1.Cl
Complexity: 151
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cc(Cl)ccn1.Cl
Complexity:
151
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc2c(c1)oc(c2C(=O)c1ccc(cc1)C#N)c1ccc(cc1)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
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:
COc1ccc2c(c1)oc(c2C(=O)c1ccc(cc1)C#N)c1ccc(cc1)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__