AI51755
52376-81-5 | 4'-Nitroacetophenone semicarbazone
Manufacturer: A2B Chem
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CatalogNumber
AI51755
ChemicalName
4'-Nitroacetophenone semicarbazone
CasNumber
52376-81-5
MolecularFormula
C9H10N4O3
MolecularWeight
222.2007
MdlNumber
MFCD03948445
Smiles
NC(=O)N/N=C(/c1ccc(cc1)[N+](=O)[O-])C
Complexity
302
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
2
UndefinedBondStereocenterCount
1
Xlogp3
0.7
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CatalogNumber: AI51755
ChemicalName: 4'-Nitroacetophenone semicarbazone
CasNumber: 52376-81-5
MolecularFormula: C9H10N4O3
MolecularWeight: 222.2007
MdlNumber: MFCD03948445
Smiles: NC(=O)N/N=C(/c1ccc(cc1)[N+](=O)[O-])C
Complexity: 302
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedBondStereocenterCount: 1
Xlogp3: 0.7
CatalogNumber:
AI51755
ChemicalName:
4'-Nitroacetophenone semicarbazone
CasNumber:
52376-81-5
MolecularFormula:
C9H10N4O3
MolecularWeight:
222.2007
MdlNumber:
MFCD03948445
Smiles:
NC(=O)N/N=C(/c1ccc(cc1)[N+](=O)[O-])C
Complexity:
302
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedBondStereocenterCount:
1
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1F)CN1CCNCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedBondStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1F)CN1CCNCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedBondStereocenterCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Ic1ccc(cc1)CN1CCNCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedBondStereocenterCount: __
Xlogp3: __
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__
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__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Ic1ccc(cc1)CN1CCNCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedBondStereocenterCount:
__
Xlogp3:
__
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MdlNumber: __
Smiles: Brc1ccc(s1)CN1CCNCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedBondStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc(s1)CN1CCNCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedBondStereocenterCount:
__
Xlogp3:
__