AC14591
876189-19-4 | 4-Methoxycarbonyl-3,5-dimethylphenylboronic acid
Manufacturer: A2B Chem
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CatalogNumber
AC14591
ChemicalName
4-Methoxycarbonyl-3,5-dimethylphenylboronic acid
CasNumber
876189-19-4
MolecularFormula
C10H13BO4
MolecularWeight
208.0188
MdlNumber
MFCD11111428
Smiles
COC(=O)c1c(C)cc(cc1C)B(O)O
Complexity
220
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
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CatalogNumber: AC14591
ChemicalName: 4-Methoxycarbonyl-3,5-dimethylphenylboronic acid
CasNumber: 876189-19-4
MolecularFormula: C10H13BO4
MolecularWeight: 208.0188
MdlNumber: MFCD11111428
Smiles: COC(=O)c1c(C)cc(cc1C)B(O)O
Complexity: 220
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
CatalogNumber:
AC14591
ChemicalName:
4-Methoxycarbonyl-3,5-dimethylphenylboronic acid
CasNumber:
876189-19-4
MolecularFormula:
C10H13BO4
MolecularWeight:
208.0188
MdlNumber:
MFCD11111428
Smiles:
COC(=O)c1c(C)cc(cc1C)B(O)O
Complexity:
220
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
CatalogNumber: AC14597
ChemicalName: 5-bromopyrazine-2-carboxylic acid
CasNumber: 876161-05-6
MolecularFormula: C5H3BrN2O2
MolecularWeight: 202.99351999999996
MdlNumber: MFCD09909672
Smiles: OC(=O)c1cnc(cn1)Br
Complexity: 142
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
CatalogNumber:
AC14597
ChemicalName:
5-bromopyrazine-2-carboxylic acid
CasNumber:
876161-05-6
MolecularFormula:
C5H3BrN2O2
MolecularWeight:
202.99351999999996
MdlNumber:
MFCD09909672
Smiles:
OC(=O)c1cnc(cn1)Br
Complexity:
142
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
CatalogNumber: AC14602
ChemicalName: 3-Bromo-5-trifluoromethylbenzaldehyde oxime
CasNumber: 876132-77-3
MolecularFormula: C8H5BrF3NO
MolecularWeight: 268.0306
MdlNumber: MFCD09475833
Smiles: O/N=C/c1cc(Br)cc(c1)C(F)(F)F
Complexity: 219
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
CatalogNumber:
AC14602
ChemicalName:
3-Bromo-5-trifluoromethylbenzaldehyde oxime
CasNumber:
876132-77-3
MolecularFormula:
C8H5BrF3NO
MolecularWeight:
268.0306
MdlNumber:
MFCD09475833
Smiles:
O/N=C/c1cc(Br)cc(c1)C(F)(F)F
Complexity:
219
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
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Smiles: CC(CNC(=O)C(Cl)C)C
Complexity: __
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Smiles:
CC(CNC(=O)C(Cl)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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RotatableBondCount:
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