AB50306
269411-71-4 | 3-Amino-5-methoxybenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB50306
ChemicalName
3-Amino-5-methoxybenzonitrile
CasNumber
269411-71-4
MolecularFormula
C8H8N2O
MolecularWeight
148.1619
MdlNumber
MFCD18389726
Smiles
COc1cc(C#N)cc(c1)N
Complexity
172
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.9
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CatalogNumber: AB50306
ChemicalName: 3-Amino-5-methoxybenzonitrile
CasNumber: 269411-71-4
MolecularFormula: C8H8N2O
MolecularWeight: 148.1619
MdlNumber: MFCD18389726
Smiles: COc1cc(C#N)cc(c1)N
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.9
CatalogNumber:
AB50306
ChemicalName:
3-Amino-5-methoxybenzonitrile
CasNumber:
269411-71-4
MolecularFormula:
C8H8N2O
MolecularWeight:
148.1619
MdlNumber:
MFCD18389726
Smiles:
COc1cc(C#N)cc(c1)N
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C.OC(=O)C=CC(=O)O
Complexity: 429
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@H](COc1nsnc1N1CCOCC1)CNC(C)(C)C.OC(=O)C=CC(=O)O
Complexity:
429
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cn1sc(cc1=O)Cl
Complexity: 156
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cn1sc(cc1=O)Cl
Complexity:
156
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(COCC(O)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(COCC(O)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__