AC23821
850429-51-5 | Ethyl 6-amino-5-bromonicotinate
Manufacturer: A2B Chem
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CatalogNumber
AC23821
ChemicalName
Ethyl 6-amino-5-bromonicotinate
CasNumber
850429-51-5
MolecularFormula
C8H9BrN2O2
MolecularWeight
245.0733
MdlNumber
MFCD06659894
Smiles
CCOC(=O)c1cnc(c(c1)Br)N
Complexity
189
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.4
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CatalogNumber: AC23821
ChemicalName: Ethyl 6-amino-5-bromonicotinate
CasNumber: 850429-51-5
MolecularFormula: C8H9BrN2O2
MolecularWeight: 245.0733
MdlNumber: MFCD06659894
Smiles: CCOC(=O)c1cnc(c(c1)Br)N
Complexity: 189
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.4
CatalogNumber:
AC23821
ChemicalName:
Ethyl 6-amino-5-bromonicotinate
CasNumber:
850429-51-5
MolecularFormula:
C8H9BrN2O2
MolecularWeight:
245.0733
MdlNumber:
MFCD06659894
Smiles:
CCOC(=O)c1cnc(c(c1)Br)N
Complexity:
189
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.4
CatalogNumber: AC23824
ChemicalName: 3-Methyl-5-trifluoromethylphenylboronic acid
CasNumber: 850411-13-1
MolecularFormula: C8H8BF3O2
MolecularWeight: 203.9541
MdlNumber: MFCD06657728
Smiles: Cc1cc(cc(c1)C(F)(F)F)B(O)O
Complexity: 196
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AC23824
ChemicalName:
3-Methyl-5-trifluoromethylphenylboronic acid
CasNumber:
850411-13-1
MolecularFormula:
C8H8BF3O2
MolecularWeight:
203.9541
MdlNumber:
MFCD06657728
Smiles:
Cc1cc(cc(c1)C(F)(F)F)B(O)O
Complexity:
196
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: AC23825
ChemicalName: 3-Fluoro-2-(trifluoromethyl)phenylboronic acid
CasNumber: 850411-12-0
MolecularFormula: C7H5BF4O2
MolecularWeight: 207.91801279999999
MdlNumber: MFCD08706086
Smiles: OB(c1cccc(c1C(F)(F)F)F)O
Complexity: 197
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AC23825
ChemicalName:
3-Fluoro-2-(trifluoromethyl)phenylboronic acid
CasNumber:
850411-12-0
MolecularFormula:
C7H5BF4O2
MolecularWeight:
207.91801279999999
MdlNumber:
MFCD08706086
Smiles:
OB(c1cccc(c1C(F)(F)F)F)O
Complexity:
197
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)COc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity: 380
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)COc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity:
380
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__