AB00053
177476-76-5 | 4-Amino-3-methoxybenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB00053
ChemicalName
4-Amino-3-methoxybenzonitrile
CasNumber
177476-76-5
MolecularFormula
C8H8N2O
MolecularWeight
148.1619
MdlNumber
MFCD13250177
Smiles
COc1cc(C#N)ccc1N
Complexity
172
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.9
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CatalogNumber: AB00053
ChemicalName: 4-Amino-3-methoxybenzonitrile
CasNumber: 177476-76-5
MolecularFormula: C8H8N2O
MolecularWeight: 148.1619
MdlNumber: MFCD13250177
Smiles: COc1cc(C#N)ccc1N
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.9
CatalogNumber:
AB00053
ChemicalName:
4-Amino-3-methoxybenzonitrile
CasNumber:
177476-76-5
MolecularFormula:
C8H8N2O
MolecularWeight:
148.1619
MdlNumber:
MFCD13250177
Smiles:
COc1cc(C#N)ccc1N
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.9
CatalogNumber: AB00055
ChemicalName: 2,3,4,4A,9,9A-Hexahydro-1h-carbazole
CasNumber: 1775-86-6
MolecularFormula: C12H15N
MolecularWeight: 173.2542
MdlNumber: MFCD00227735
Smiles: C1CCC2C(C1)Nc1c2cccc1
Complexity: 190
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 3.2
CatalogNumber:
AB00055
ChemicalName:
2,3,4,4A,9,9A-Hexahydro-1h-carbazole
CasNumber:
1775-86-6
MolecularFormula:
C12H15N
MolecularWeight:
173.2542
MdlNumber:
MFCD00227735
Smiles:
C1CCC2C(C1)Nc1c2cccc1
Complexity:
190
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CC(C(=O)CBr)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CC(C(=O)CBr)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC/C=C\CC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC/C=C\CC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__