AC44739
775351-40-1 | 2H-Tetrazole, 5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
Manufacturer: A2B Chem
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CatalogNumber
AC44739
ChemicalName
2H-Tetrazole, 5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
CasNumber
775351-40-1
MolecularFormula
C13H17BN4O2
MolecularWeight
272.1107
MdlNumber
MFCD12761127
Smiles
CC1(C)OB(OC1(C)C)c1ccc(cc1)c1n[nH]nn1
Complexity
342
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
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CatalogNumber: AC44739
ChemicalName: 2H-Tetrazole, 5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
CasNumber: 775351-40-1
MolecularFormula: C13H17BN4O2
MolecularWeight: 272.1107
MdlNumber: MFCD12761127
Smiles: CC1(C)OB(OC1(C)C)c1ccc(cc1)c1n[nH]nn1
Complexity: 342
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
CatalogNumber:
AC44739
ChemicalName:
2H-Tetrazole, 5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
CasNumber:
775351-40-1
MolecularFormula:
C13H17BN4O2
MolecularWeight:
272.1107
MdlNumber:
MFCD12761127
Smiles:
CC1(C)OB(OC1(C)C)c1ccc(cc1)c1n[nH]nn1
Complexity:
342
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)CCN(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)CCN(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AC44742
ChemicalName: 2-Cyano-4-fluorobenzaldehyde
CasNumber: 77532-90-2
MolecularFormula: C8H4FNO
MolecularWeight: 149.1219
MdlNumber: MFCD08275455
Smiles: N#Cc1cc(F)ccc1C=O
Complexity: 196
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
CatalogNumber:
AC44742
ChemicalName:
2-Cyano-4-fluorobenzaldehyde
CasNumber:
77532-90-2
MolecularFormula:
C8H4FNO
MolecularWeight:
149.1219
MdlNumber:
MFCD08275455
Smiles:
N#Cc1cc(F)ccc1C=O
Complexity:
196
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)c1nnc(cc1Cl)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)c1nnc(cc1Cl)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__