AI47614
325786-11-6 | 2,4-Difluoro-5-nitrophenylboronic acid
Manufacturer: A2B Chem
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CatalogNumber
AI47614
ChemicalName
2,4-Difluoro-5-nitrophenylboronic acid
CasNumber
325786-11-6
MolecularFormula
C6H4BF2NO4
MolecularWeight
202.9081
MdlNumber
MFCD03095253
Smiles
OB(c1cc([N+](=O)[O-])c(cc1F)F)O
Complexity
224
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
1
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CatalogNumber: AI47614
ChemicalName: 2,4-Difluoro-5-nitrophenylboronic acid
CasNumber: 325786-11-6
MolecularFormula: C6H4BF2NO4
MolecularWeight: 202.9081
MdlNumber: MFCD03095253
Smiles: OB(c1cc([N+](=O)[O-])c(cc1F)F)O
Complexity: 224
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 1
CatalogNumber:
AI47614
ChemicalName:
2,4-Difluoro-5-nitrophenylboronic acid
CasNumber:
325786-11-6
MolecularFormula:
C6H4BF2NO4
MolecularWeight:
202.9081
MdlNumber:
MFCD03095253
Smiles:
OB(c1cc([N+](=O)[O-])c(cc1F)F)O
Complexity:
224
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
1
CatalogNumber: AI47615
ChemicalName: Ethyl 3-amino-3-(4-chlorophenyl)propanoate, HCl
CasNumber: 325803-29-0
MolecularFormula: C11H15Cl2NO2
MolecularWeight: 264.1483
MdlNumber: MFCD00980051
Smiles: CCOC(=O)CC(c1ccc(cc1)Cl)N.Cl
Complexity: 203
Covalently-bondedUnitCount: 2
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 5
CatalogNumber:
AI47615
ChemicalName:
Ethyl 3-amino-3-(4-chlorophenyl)propanoate, HCl
CasNumber:
325803-29-0
MolecularFormula:
C11H15Cl2NO2
MolecularWeight:
264.1483
MdlNumber:
MFCD00980051
Smiles:
CCOC(=O)CC(c1ccc(cc1)Cl)N.Cl
Complexity:
203
Covalently-bondedUnitCount:
2
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
5
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Smiles: CCc1ccc(cc1)c1cn2c(n1)nccc2
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CCc1ccc(cc1)c1cn2c(n1)nccc2
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Smiles: O=C1C=C(NCc2ccco2)CC(C1)(C)C
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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:
O=C1C=C(NCc2ccco2)CC(C1)(C)C
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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