AE25144
1120244-55-4 | 1-Cyclopropyl-1,3-benzodiazole-5-carbonitrile
Manufacturer: A2B Chem
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CatalogNumber
AE25144
ChemicalName
1-Cyclopropyl-1,3-benzodiazole-5-carbonitrile
CasNumber
1120244-55-4
MolecularFormula
C11H9N3
MolecularWeight
183.2093
MdlNumber
MFCD13881256
Smiles
N#Cc1ccc2c(c1)ncn2C1CC1
Complexity
276
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
RotatableBondCount
1
Xlogp3
1.6
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CatalogNumber: AE25144
ChemicalName: 1-Cyclopropyl-1,3-benzodiazole-5-carbonitrile
CasNumber: 1120244-55-4
MolecularFormula: C11H9N3
MolecularWeight: 183.2093
MdlNumber: MFCD13881256
Smiles: N#Cc1ccc2c(c1)ncn2C1CC1
Complexity: 276
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 1.6
CatalogNumber:
AE25144
ChemicalName:
1-Cyclopropyl-1,3-benzodiazole-5-carbonitrile
CasNumber:
1120244-55-4
MolecularFormula:
C11H9N3
MolecularWeight:
183.2093
MdlNumber:
MFCD13881256
Smiles:
N#Cc1ccc2c(c1)ncn2C1CC1
Complexity:
276
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
1.6
CatalogNumber: AE25145
ChemicalName: 3-Acetylpyridine-5-boronic acid, pinacol ester
CasNumber: 1103862-13-0
MolecularFormula: C13H18BNO3
MolecularWeight: 247.0979
MdlNumber: MFCD12923390
Smiles: CC(=O)c1cncc(c1)B1OC(C(O1)(C)C)(C)C
Complexity: 327
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AE25145
ChemicalName:
3-Acetylpyridine-5-boronic acid, pinacol ester
CasNumber:
1103862-13-0
MolecularFormula:
C13H18BNO3
MolecularWeight:
247.0979
MdlNumber:
MFCD12923390
Smiles:
CC(=O)c1cncc(c1)B1OC(C(O1)(C)C)(C)C
Complexity:
327
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: AE25146
ChemicalName: (5-Acetylpyridin-3-yl)boronic acid
CasNumber: 1033745-21-9
MolecularFormula: C7H8BNO3
MolecularWeight: 164.9543
MdlNumber: MFCD10696658
Smiles: OB(c1cncc(c1)C(=O)C)O
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AE25146
ChemicalName:
(5-Acetylpyridin-3-yl)boronic acid
CasNumber:
1033745-21-9
MolecularFormula:
C7H8BNO3
MolecularWeight:
164.9543
MdlNumber:
MFCD10696658
Smiles:
OB(c1cncc(c1)C(=O)C)O
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: AE25147
ChemicalName: 2-(3,4-Bis(trifluoromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CasNumber: 1073339-08-8
MolecularFormula: C14H15BF6O2
MolecularWeight: 340.0691
MdlNumber: MFCD12405522
Smiles: CC1(C)OB(OC1(C)C)c1ccc(c(c1)C(F)(F)F)C(F)(F)F
Complexity: 430
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 8
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AE25147
ChemicalName:
2-(3,4-Bis(trifluoromethyl)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CasNumber:
1073339-08-8
MolecularFormula:
C14H15BF6O2
MolecularWeight:
340.0691
MdlNumber:
MFCD12405522
Smiles:
CC1(C)OB(OC1(C)C)c1ccc(c(c1)C(F)(F)F)C(F)(F)F
Complexity:
430
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
8
RotatableBondCount:
1
Xlogp3:
__