AB64361
1072946-05-4 | 3-Boronoisonicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AB64361
ChemicalName
3-Boronoisonicotinic acid
CasNumber
1072946-05-4
MolecularFormula
C6H6BNO4
MolecularWeight
166.9271
MdlNumber
MFCD10696649
Smiles
OB(c1cnccc1C(=O)O)O
Complexity
175
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
3
RotatableBondCount
2
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CatalogNumber: AB64361
ChemicalName: 3-Boronoisonicotinic acid
CasNumber: 1072946-05-4
MolecularFormula: C6H6BNO4
MolecularWeight: 166.9271
MdlNumber: MFCD10696649
Smiles: OB(c1cnccc1C(=O)O)O
Complexity: 175
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 2
CatalogNumber:
AB64361
ChemicalName:
3-Boronoisonicotinic acid
CasNumber:
1072946-05-4
MolecularFormula:
C6H6BNO4
MolecularWeight:
166.9271
MdlNumber:
MFCD10696649
Smiles:
OB(c1cnccc1C(=O)O)O
Complexity:
175
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
2
CatalogNumber: AB64362
ChemicalName: 3-Borono-N-(2,4-dimethylphenyl)benzamide
CasNumber: 957060-98-9
MolecularFormula: C15H16BNO3
MolecularWeight: 269.1034
MdlNumber: MFCD09027261
Smiles: Cc1ccc(c(c1)C)NC(=O)c1cccc(c1)B(O)O
Complexity: 337
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 3
CatalogNumber:
AB64362
ChemicalName:
3-Borono-N-(2,4-dimethylphenyl)benzamide
CasNumber:
957060-98-9
MolecularFormula:
C15H16BNO3
MolecularWeight:
269.1034
MdlNumber:
MFCD09027261
Smiles:
Cc1ccc(c(c1)C)NC(=O)c1cccc(c1)B(O)O
Complexity:
337
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
3
CatalogNumber: AB64363
ChemicalName: 3-Borono-N-(2-bromophenyl)benzamide
CasNumber: 874288-30-9
MolecularFormula: C13H11BBrNO3
MolecularWeight: 319.9463
MdlNumber: MFCD09027206
Smiles: O=C(c1cccc(c1)B(O)O)Nc1ccccc1Br
Complexity: 316
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 3
CatalogNumber:
AB64363
ChemicalName:
3-Borono-N-(2-bromophenyl)benzamide
CasNumber:
874288-30-9
MolecularFormula:
C13H11BBrNO3
MolecularWeight:
319.9463
MdlNumber:
MFCD09027206
Smiles:
O=C(c1cccc(c1)B(O)O)Nc1ccccc1Br
Complexity:
316
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
3
CatalogNumber: AB64365
ChemicalName: 1-(Benzenesulfonyl)-3-bromoindole
CasNumber: 99655-68-2
MolecularFormula: C14H10BrNO2S
MolecularWeight: 336.2037
MdlNumber: MFCD02681986
Smiles: Brc1cn(c2c1cccc2)S(=O)(=O)c1ccccc1
Complexity: 414
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
CatalogNumber:
AB64365
ChemicalName:
1-(Benzenesulfonyl)-3-bromoindole
CasNumber:
99655-68-2
MolecularFormula:
C14H10BrNO2S
MolecularWeight:
336.2037
MdlNumber:
MFCD02681986
Smiles:
Brc1cn(c2c1cccc2)S(=O)(=O)c1ccccc1
Complexity:
414
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2