AH83899
936250-16-7 | 3-(3-(Dimethylamino)propylcarbamoyl)phenylboronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AH83899
ChemicalName
3-(3-(Dimethylamino)propylcarbamoyl)phenylboronic acid, pinacol ester
CasNumber
936250-16-7
MolecularFormula
C18H29BN2O3
MolecularWeight
332.2455
MdlNumber
MFCD05865085
Smiles
CN(CCCNC(=O)c1cccc(c1)B1OC(C(O1)(C)C)(C)C)C
Complexity
424
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
6
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CatalogNumber: AH83899
ChemicalName: 3-(3-(Dimethylamino)propylcarbamoyl)phenylboronic acid, pinacol ester
CasNumber: 936250-16-7
MolecularFormula: C18H29BN2O3
MolecularWeight: 332.2455
MdlNumber: MFCD05865085
Smiles: CN(CCCNC(=O)c1cccc(c1)B1OC(C(O1)(C)C)(C)C)C
Complexity: 424
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 6
CatalogNumber:
AH83899
ChemicalName:
3-(3-(Dimethylamino)propylcarbamoyl)phenylboronic acid, pinacol ester
CasNumber:
936250-16-7
MolecularFormula:
C18H29BN2O3
MolecularWeight:
332.2455
MdlNumber:
MFCD05865085
Smiles:
CN(CCCNC(=O)c1cccc(c1)B1OC(C(O1)(C)C)(C)C)C
Complexity:
424
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
6
CatalogNumber: AH83900
ChemicalName: 4-Carboxymethylphenylboronic acid
CasNumber: 90111-58-3
MolecularFormula: C8H9BO4
MolecularWeight: 179.9657
MdlNumber: MFCD03425919
Smiles: OC(=O)Cc1ccc(cc1)B(O)O
Complexity: 175
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 3
CatalogNumber:
AH83900
ChemicalName:
4-Carboxymethylphenylboronic acid
CasNumber:
90111-58-3
MolecularFormula:
C8H9BO4
MolecularWeight:
179.9657
MdlNumber:
MFCD03425919
Smiles:
OC(=O)Cc1ccc(cc1)B(O)O
Complexity:
175
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
3
CatalogNumber: AH83901
ChemicalName: Potassium trifluoro(iodomethyl)borate
CasNumber: 888711-47-5
MolecularFormula: CHBF3IK
MolecularWeight: 246.8276196
MdlNumber: MFCD11112187
Smiles: I[CH-][B+3]([F-])([F-])[F-].[K+]
Complexity: 44.7
Covalently-bondedUnitCount: 2
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
AH83901
ChemicalName:
Potassium trifluoro(iodomethyl)borate
CasNumber:
888711-47-5
MolecularFormula:
CHBF3IK
MolecularWeight:
246.8276196
MdlNumber:
MFCD11112187
Smiles:
I[CH-][B+3]([F-])([F-])[F-].[K+]
Complexity:
44.7
Covalently-bondedUnitCount:
2
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(cc1)c1cccc(c1)C
Complexity: 254
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(cc1)c1cccc(c1)C
Complexity:
254
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__