AI62503
93554-83-7 | 2-Amino-3-phenylpropanenitrile, HCl
Manufacturer: A2B Chem
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CatalogNumber
AI62503
ChemicalName
2-Amino-3-phenylpropanenitrile, HCl
CasNumber
93554-83-7
MolecularFormula
C9H11ClN2
MolecularWeight
182.65
MdlNumber
MFCD00082676
Smiles
NC(Cc1ccccc1)C#N.Cl
Complexity
150
Covalently-bondedUnitCount
2
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
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CatalogNumber: AI62503
ChemicalName: 2-Amino-3-phenylpropanenitrile, HCl
CasNumber: 93554-83-7
MolecularFormula: C9H11ClN2
MolecularWeight: 182.65
MdlNumber: MFCD00082676
Smiles: NC(Cc1ccccc1)C#N.Cl
Complexity: 150
Covalently-bondedUnitCount: 2
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AI62503
ChemicalName:
2-Amino-3-phenylpropanenitrile, HCl
CasNumber:
93554-83-7
MolecularFormula:
C9H11ClN2
MolecularWeight:
182.65
MdlNumber:
MFCD00082676
Smiles:
NC(Cc1ccccc1)C#N.Cl
Complexity:
150
Covalently-bondedUnitCount:
2
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccc2c(c1)CN(CC2)S(=O)(=O)C
Complexity: 325
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccc2c(c1)CN(CC2)S(=O)(=O)C
Complexity:
325
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
CatalogNumber: AI62505
ChemicalName: 4-(3,5-Dimethylphenyl)benzonitrile
CasNumber: 935552-89-9
MolecularFormula: C15H13N
MolecularWeight: 207.27041999999997
MdlNumber: MFCD21609633
Smiles: N#Cc1ccc(cc1)c1cc(C)cc(c1)C
Complexity: 256
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
CatalogNumber:
AI62505
ChemicalName:
4-(3,5-Dimethylphenyl)benzonitrile
CasNumber:
935552-89-9
MolecularFormula:
C15H13N
MolecularWeight:
207.27041999999997
MdlNumber:
MFCD21609633
Smiles:
N#Cc1ccc(cc1)c1cc(C)cc(c1)C
Complexity:
256
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)Nc1cc(O)cc(c1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)Nc1cc(O)cc(c1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__