AA94703
17583-40-3 | 2-(Methylamino)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AA94703
ChemicalName
2-(Methylamino)benzonitrile
CasNumber
17583-40-3
MolecularFormula
C8H8N2
MolecularWeight
132.1625
MdlNumber
MFCD12962960
Smiles
N#Cc1ccccc1NC
NscNumber
158449
Complexity
145
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.2
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CatalogNumber: AA94703
ChemicalName: 2-(Methylamino)benzonitrile
CasNumber: 17583-40-3
MolecularFormula: C8H8N2
MolecularWeight: 132.1625
MdlNumber: MFCD12962960
Smiles: N#Cc1ccccc1NC
NscNumber: 158449
Complexity: 145
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.2
CatalogNumber:
AA94703
ChemicalName:
2-(Methylamino)benzonitrile
CasNumber:
17583-40-3
MolecularFormula:
C8H8N2
MolecularWeight:
132.1625
MdlNumber:
MFCD12962960
Smiles:
N#Cc1ccccc1NC
NscNumber:
158449
Complexity:
145
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CCCc2c1sc(n2)c1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CCCc2c1sc(n2)c1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA94705
ChemicalName: 2-Amino-5,6-dihydro-4h-benzothiazol-7-one
CasNumber: 17583-10-7
MolecularFormula: C7H8N2OS
MolecularWeight: 168.2162
MdlNumber: MFCD00460519
Smiles: Nc1nc2c(s1)C(=O)CCC2
NscNumber: __
Complexity: 185
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
AA94705
ChemicalName:
2-Amino-5,6-dihydro-4h-benzothiazol-7-one
CasNumber:
17583-10-7
MolecularFormula:
C7H8N2OS
MolecularWeight:
168.2162
MdlNumber:
MFCD00460519
Smiles:
Nc1nc2c(s1)C(=O)CCC2
NscNumber:
__
Complexity:
185
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC=Cc1ccc(cc1)OC
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCC=Cc1ccc(cc1)OC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__