AI41298
1823863-01-9 | Benzyl 4-nitroazepane-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI41298
ChemicalName
Benzyl 4-nitroazepane-1-carboxylate
CasNumber
1823863-01-9
MolecularFormula
C14H18N2O4
MolecularWeight
278.3037
MdlNumber
MFCD27997474
Smiles
O=C(N1CCCC(CC1)[N+](=O)[O-])OCc1ccccc1
Complexity
337
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
4
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
2.3
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CatalogNumber: AI41298
ChemicalName: Benzyl 4-nitroazepane-1-carboxylate
CasNumber: 1823863-01-9
MolecularFormula: C14H18N2O4
MolecularWeight: 278.3037
MdlNumber: MFCD27997474
Smiles: O=C(N1CCCC(CC1)[N+](=O)[O-])OCc1ccccc1
Complexity: 337
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.3
CatalogNumber:
AI41298
ChemicalName:
Benzyl 4-nitroazepane-1-carboxylate
CasNumber:
1823863-01-9
MolecularFormula:
C14H18N2O4
MolecularWeight:
278.3037
MdlNumber:
MFCD27997474
Smiles:
O=C(N1CCCC(CC1)[N+](=O)[O-])OCc1ccccc1
Complexity:
337
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.3
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Smiles: CC(C)(C)OC(=O)N1CCCCC(C1)(C(F)(F)F)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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Smiles:
CC(C)(C)OC(=O)N1CCCCC(C1)(C(F)(F)F)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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UndefinedAtomStereocenterCount:
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Smiles: O=C(NC1(C)CCNCCC1)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(NC1(C)CCNCCC1)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CC(F)(F)CC(C1)(F)C(=O)O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CC(F)(F)CC(C1)(F)C(=O)O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__