AD50555
338454-17-4 | 3,4-Dihydro-2H-1,4-benzoxazine-6-boronic acid
Manufacturer: A2B Chem
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CatalogNumber
AD50555
ChemicalName
3,4-Dihydro-2H-1,4-benzoxazine-6-boronic acid
CasNumber
338454-17-4
MolecularFormula
C8H10BNO3
MolecularWeight
178.9809
MdlNumber
MFCD20491430
Smiles
OB(c1ccc2c(c1)NCCO2)O
Complexity
179
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
3
RotatableBondCount
1
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CatalogNumber: AD50555
ChemicalName: 3,4-Dihydro-2H-1,4-benzoxazine-6-boronic acid
CasNumber: 338454-17-4
MolecularFormula: C8H10BNO3
MolecularWeight: 178.9809
MdlNumber: MFCD20491430
Smiles: OB(c1ccc2c(c1)NCCO2)O
Complexity: 179
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 1
CatalogNumber:
AD50555
ChemicalName:
3,4-Dihydro-2H-1,4-benzoxazine-6-boronic acid
CasNumber:
338454-17-4
MolecularFormula:
C8H10BNO3
MolecularWeight:
178.9809
MdlNumber:
MFCD20491430
Smiles:
OB(c1ccc2c(c1)NCCO2)O
Complexity:
179
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
1
CatalogNumber: AD50556
ChemicalName: 4-Methoxy-2-nitrobenzamide
CasNumber: 33844-22-3
MolecularFormula: C8H8N2O4
MolecularWeight: 196.1601
MdlNumber: MFCD02685088
Smiles: COc1ccc(c(c1)[N+](=O)[O-])C(=O)N
Complexity: 238
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
CatalogNumber:
AD50556
ChemicalName:
4-Methoxy-2-nitrobenzamide
CasNumber:
33844-22-3
MolecularFormula:
C8H8N2O4
MolecularWeight:
196.1601
MdlNumber:
MFCD02685088
Smiles:
COc1ccc(c(c1)[N+](=O)[O-])C(=O)N
Complexity:
238
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
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Smiles: CCOc1ccc(cc1)c1[nH]nnn1
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Smiles:
CCOc1ccc(cc1)c1[nH]nnn1
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Smiles: N#Cc1c(N=CN(C)C)nccc1OC
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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:
N#Cc1c(N=CN(C)C)nccc1OC
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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