AI39995
1809900-40-0 | 3,4-Dichloro-5-(methoxycarbonyl)phenylboronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AI39995
ChemicalName
3,4-Dichloro-5-(methoxycarbonyl)phenylboronic acid, pinacol ester
CasNumber
1809900-40-0
MolecularFormula
C14H17BCl2O4
MolecularWeight
330.9994
MdlNumber
MFCD18783184
Smiles
COC(=O)c1cc(cc(c1Cl)Cl)B1OC(C(O1)(C)C)(C)C
Complexity
400
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
4
RotatableBondCount
3
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CatalogNumber: AI39995
ChemicalName: 3,4-Dichloro-5-(methoxycarbonyl)phenylboronic acid, pinacol ester
CasNumber: 1809900-40-0
MolecularFormula: C14H17BCl2O4
MolecularWeight: 330.9994
MdlNumber: MFCD18783184
Smiles: COC(=O)c1cc(cc(c1Cl)Cl)B1OC(C(O1)(C)C)(C)C
Complexity: 400
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
CatalogNumber:
AI39995
ChemicalName:
3,4-Dichloro-5-(methoxycarbonyl)phenylboronic acid, pinacol ester
CasNumber:
1809900-40-0
MolecularFormula:
C14H17BCl2O4
MolecularWeight:
330.9994
MdlNumber:
MFCD18783184
Smiles:
COC(=O)c1cc(cc(c1Cl)Cl)B1OC(C(O1)(C)C)(C)C
Complexity:
400
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc2c(c1)nc([nH]2)CCl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc2c(c1)nc([nH]2)CCl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
CatalogNumber: AI39997
ChemicalName: 4-Nitro-2-(trifluoromethyl)phenylboronic acid, pinacol ester
CasNumber: 1810767-17-9
MolecularFormula: C13H15BF3NO4
MolecularWeight: 317.0687
MdlNumber: MFCD16996358
Smiles: [O-][N+](=O)c1ccc(c(c1)C(F)(F)F)B1OC(C(O1)(C)C)(C)C
Complexity: 434
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 7
RotatableBondCount: 1
CatalogNumber:
AI39997
ChemicalName:
4-Nitro-2-(trifluoromethyl)phenylboronic acid, pinacol ester
CasNumber:
1810767-17-9
MolecularFormula:
C13H15BF3NO4
MolecularWeight:
317.0687
MdlNumber:
MFCD16996358
Smiles:
[O-][N+](=O)c1ccc(c(c1)C(F)(F)F)B1OC(C(O1)(C)C)(C)C
Complexity:
434
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
7
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(C(F)(F)F)(C(F)(F)F)c1ccc(cc1)NCC1CC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(C(F)(F)F)(C(F)(F)F)c1ccc(cc1)NCC1CC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__