AI45416
22768-05-4 | Methyl 3-(3-nitrophenyl)propanoate
Manufacturer: A2B Chem
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CatalogNumber
AI45416
ChemicalName
Methyl 3-(3-nitrophenyl)propanoate
CasNumber
22768-05-4
MolecularFormula
C10H11NO4
MolecularWeight
209.19864000000007
MdlNumber
MFCD22987434
Smiles
COC(=O)CCc1cccc(c1)[N+](=O)[O-]
Complexity
236
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
1.8
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CatalogNumber: AI45416
ChemicalName: Methyl 3-(3-nitrophenyl)propanoate
CasNumber: 22768-05-4
MolecularFormula: C10H11NO4
MolecularWeight: 209.19864000000007
MdlNumber: MFCD22987434
Smiles: COC(=O)CCc1cccc(c1)[N+](=O)[O-]
Complexity: 236
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 1.8
CatalogNumber:
AI45416
ChemicalName:
Methyl 3-(3-nitrophenyl)propanoate
CasNumber:
22768-05-4
MolecularFormula:
C10H11NO4
MolecularWeight:
209.19864000000007
MdlNumber:
MFCD22987434
Smiles:
COC(=O)CCc1cccc(c1)[N+](=O)[O-]
Complexity:
236
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: Clc1cc(NC(=O)c2c(O)c(Cl)cc(c2Cl)Cl)c(c(c1)Cl)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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MolecularFormula:
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MolecularWeight:
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Smiles:
Clc1cc(NC(=O)c2c(O)c(Cl)cc(c2Cl)Cl)c(c(c1)Cl)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: NC12CCC(CC1)(CC2)N.Cl.Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
NC12CCC(CC1)(CC2)N.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: O=C(OC(C)(C)C)NCCc1ccc2c(n1)NCCC2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(OC(C)(C)C)NCCc1ccc2c(n1)NCCC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__