AB61513
66572-56-3 | 2-Bromoisonicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AB61513
ChemicalName
2-Bromoisonicotinic acid
CasNumber
66572-56-3
MolecularFormula
C6H4BrNO2
MolecularWeight
202.0055
MdlNumber
MFCD01646069
Smiles
Brc1nccc(c1)C(=O)O
NscNumber
9462
Complexity
140
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.2
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CatalogNumber: AB61513
ChemicalName: 2-Bromoisonicotinic acid
CasNumber: 66572-56-3
MolecularFormula: C6H4BrNO2
MolecularWeight: 202.0055
MdlNumber: MFCD01646069
Smiles: Brc1nccc(c1)C(=O)O
NscNumber: 9462
Complexity: 140
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.2
CatalogNumber:
AB61513
ChemicalName:
2-Bromoisonicotinic acid
CasNumber:
66572-56-3
MolecularFormula:
C6H4BrNO2
MolecularWeight:
202.0055
MdlNumber:
MFCD01646069
Smiles:
Brc1nccc(c1)C(=O)O
NscNumber:
9462
Complexity:
140
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCc1ncccc1O.Br
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCc1ncccc1O.Br
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB61515
ChemicalName: 2-Bromomethyl-4-trifluoromethoxyphenylboronic acid, pinacol ester
CasNumber: 957066-13-6
MolecularFormula: C14H17BBrF3O3
MolecularWeight: 380.9932
MdlNumber: MFCD09475917
Smiles: BrCc1cc(ccc1B1OC(C(O1)(C)C)(C)C)OC(F)(F)F
NscNumber: __
Complexity: 387
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AB61515
ChemicalName:
2-Bromomethyl-4-trifluoromethoxyphenylboronic acid, pinacol ester
CasNumber:
957066-13-6
MolecularFormula:
C14H17BBrF3O3
MolecularWeight:
380.9932
MdlNumber:
MFCD09475917
Smiles:
BrCc1cc(ccc1B1OC(C(O1)(C)C)(C)C)OC(F)(F)F
NscNumber:
__
Complexity:
387
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCc1ccc2c(c1)C(=O)c1c(C2=O)cccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCc1ccc2c(c1)C(=O)c1c(C2=O)cccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__