AI54557
658700-15-3 | (3-Fluoro-4-nitrophenyl)carbamic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI54557
ChemicalName
(3-Fluoro-4-nitrophenyl)carbamic acid tert-butyl ester
CasNumber
658700-15-3
MolecularFormula
C11H13FN2O4
MolecularWeight
256.2303
MdlNumber
MFCD09953070
Smiles
O=C(OC(C)(C)C)Nc1ccc(c(c1)F)[N+](=O)[O-]
Complexity
324
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.4
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CatalogNumber: AI54557
ChemicalName: (3-Fluoro-4-nitrophenyl)carbamic acid tert-butyl ester
CasNumber: 658700-15-3
MolecularFormula: C11H13FN2O4
MolecularWeight: 256.2303
MdlNumber: MFCD09953070
Smiles: O=C(OC(C)(C)C)Nc1ccc(c(c1)F)[N+](=O)[O-]
Complexity: 324
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.4
CatalogNumber:
AI54557
ChemicalName:
(3-Fluoro-4-nitrophenyl)carbamic acid tert-butyl ester
CasNumber:
658700-15-3
MolecularFormula:
C11H13FN2O4
MolecularWeight:
256.2303
MdlNumber:
MFCD09953070
Smiles:
O=C(OC(C)(C)C)Nc1ccc(c(c1)F)[N+](=O)[O-]
Complexity:
324
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.4
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Smiles: CNC(=O)c1ccc(c(c1)F)[N+](=O)[O-]
Complexity: __
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CNC(=O)c1ccc(c(c1)F)[N+](=O)[O-]
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Smiles: CN1CCC(C(C1)c1ccccc1)C(=O)O
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CN1CCC(C(C1)c1ccccc1)C(=O)O
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RotatableBondCount:
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Smiles: COC(=O)c1ccc(c(c1)N)O.Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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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:
COC(=O)c1ccc(c(c1)N)O.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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