AB60012
13612-59-4 | 2,4,6-Cycloheptatriene-1-carbonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB60012
ChemicalName
2,4,6-Cycloheptatriene-1-carbonitrile
CasNumber
13612-59-4
MolecularFormula
C8H7N
MolecularWeight
117.1479
MdlNumber
MFCD02752619
Smiles
N#CC1C=CC=CC=C1
Complexity
196
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
1
Xlogp3
2.1
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CatalogNumber: AB60012
ChemicalName: 2,4,6-Cycloheptatriene-1-carbonitrile
CasNumber: 13612-59-4
MolecularFormula: C8H7N
MolecularWeight: 117.1479
MdlNumber: MFCD02752619
Smiles: N#CC1C=CC=CC=C1
Complexity: 196
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 1
Xlogp3: 2.1
CatalogNumber:
AB60012
ChemicalName:
2,4,6-Cycloheptatriene-1-carbonitrile
CasNumber:
13612-59-4
MolecularFormula:
C8H7N
MolecularWeight:
117.1479
MdlNumber:
MFCD02752619
Smiles:
N#CC1C=CC=CC=C1
Complexity:
196
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
1
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: n1ccc(cc1)c1nc(nc(n1)c1ccncc1)c1ccncc1
Complexity: 305
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: 1.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
n1ccc(cc1)c1nc(nc(n1)c1ccncc1)c1ccncc1
Complexity:
305
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: c1ccc2c(c1)n(c1nc(nc(n1)n1c3ccccc3c3c1cccc3)n1c3ccccc3c3c1cccc3)c1c2cccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
c1ccc2c(c1)n(c1nc(nc(n1)n1c3ccccc3c3c1cccc3)n1c3ccccc3c3c1cccc3)c1c2cccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: c1ccc(nc1)c1nc(nc(n1)c1ccccn1)c1ccccn1
Complexity: 323
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: 2.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
c1ccc(nc1)c1nc(nc(n1)c1ccccn1)c1ccccn1
Complexity:
323
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
2.1