AA37390
1266084-47-2 | 3,3-Dimethyl-6-nitrobenzo[c][1,2]oxaborol-1(3H)-ol
Manufacturer: A2B Chem
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CatalogNumber
AA37390
ChemicalName
3,3-Dimethyl-6-nitrobenzo[c][1,2]oxaborol-1(3H)-ol
CasNumber
1266084-47-2
MolecularFormula
C9H10BNO4
MolecularWeight
206.991
MdlNumber
MFCD24857367
Smiles
OB1OC(c2c1cc(cc2)[N+](=O)[O-])(C)C
Complexity
278
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
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CatalogNumber: AA37390
ChemicalName: 3,3-Dimethyl-6-nitrobenzo[c][1,2]oxaborol-1(3H)-ol
CasNumber: 1266084-47-2
MolecularFormula: C9H10BNO4
MolecularWeight: 206.991
MdlNumber: MFCD24857367
Smiles: OB1OC(c2c1cc(cc2)[N+](=O)[O-])(C)C
Complexity: 278
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
CatalogNumber:
AA37390
ChemicalName:
3,3-Dimethyl-6-nitrobenzo[c][1,2]oxaborol-1(3H)-ol
CasNumber:
1266084-47-2
MolecularFormula:
C9H10BNO4
MolecularWeight:
206.991
MdlNumber:
MFCD24857367
Smiles:
OB1OC(c2c1cc(cc2)[N+](=O)[O-])(C)C
Complexity:
278
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
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Smiles: Brc1c(ccc2c1cccc2)OS(=O)(=O)C(F)(F)F
Complexity: __
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Smiles:
Brc1c(ccc2c1cccc2)OS(=O)(=O)C(F)(F)F
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Smiles: O=S(=O)(C(F)(F)F)Oc1ccc2c(c1c1c(ccc3c1cccc3)OS(=O)(=O)C(F)(F)F)cccc2.O=S(=O)(C(F)(F)F)Oc1ccc2c(c1c1c(ccc3c1cccc3)OS(=O)(=O)C(F)(F)F)cccc2
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Smiles:
O=S(=O)(C(F)(F)F)Oc1ccc2c(c1c1c(ccc3c1cccc3)OS(=O)(=O)C(F)(F)F)cccc2.O=S(=O)(C(F)(F)F)Oc1ccc2c(c1c1c(ccc3c1cccc3)OS(=O)(=O)C(F)(F)F)cccc2
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Smiles: OC(=O)c1ccn(c1)C(C)(C)C
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Smiles:
OC(=O)c1ccn(c1)C(C)(C)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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