AC18072
871332-90-0 | 3-(Benzylaminocarbonyl)-5-nitrophenylboronic acid
Manufacturer: A2B Chem
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CatalogNumber
AC18072
ChemicalName
3-(Benzylaminocarbonyl)-5-nitrophenylboronic acid
CasNumber
871332-90-0
MolecularFormula
C14H13BN2O5
MolecularWeight
300.0744
MdlNumber
MFCD07783882
Smiles
OB(c1cc(cc(c1)[N+](=O)[O-])C(=O)NCc1ccccc1)O
Complexity
395
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
4
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CatalogNumber: AC18072
ChemicalName: 3-(Benzylaminocarbonyl)-5-nitrophenylboronic acid
CasNumber: 871332-90-0
MolecularFormula: C14H13BN2O5
MolecularWeight: 300.0744
MdlNumber: MFCD07783882
Smiles: OB(c1cc(cc(c1)[N+](=O)[O-])C(=O)NCc1ccccc1)O
Complexity: 395
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 4
CatalogNumber:
AC18072
ChemicalName:
3-(Benzylaminocarbonyl)-5-nitrophenylboronic acid
CasNumber:
871332-90-0
MolecularFormula:
C14H13BN2O5
MolecularWeight:
300.0744
MdlNumber:
MFCD07783882
Smiles:
OB(c1cc(cc(c1)[N+](=O)[O-])C(=O)NCc1ccccc1)O
Complexity:
395
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
4
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Smiles: NCc1ccc2c(c1)NC(=NS2(=O)=O)C
Complexity: __
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Smiles:
NCc1ccc2c(c1)NC(=NS2(=O)=O)C
Complexity:
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Smiles: C=CCOC(=O)N[C@H](C(=O)O)CSSC(C)(C)C
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Smiles:
C=CCOC(=O)N[C@H](C(=O)O)CSSC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Brc1cccc(c1)C(=O)c1ccccc1C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Brc1cccc(c1)C(=O)c1ccccc1C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__