AF31615
214117-50-7 | 4-(4-Bromophenyl)-1H-1,2,4-triazol-5(4H)-one
Manufacturer: A2B Chem
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CatalogNumber
AF31615
ChemicalName
4-(4-Bromophenyl)-1H-1,2,4-triazol-5(4H)-one
CasNumber
214117-50-7
MolecularFormula
C8H6BrN3O
MolecularWeight
240.0567
MdlNumber
MFCD04125620
Smiles
Brc1ccc(cc1)n1cn[nH]c1=O
Complexity
236
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.6
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CatalogNumber: AF31615
ChemicalName: 4-(4-Bromophenyl)-1H-1,2,4-triazol-5(4H)-one
CasNumber: 214117-50-7
MolecularFormula: C8H6BrN3O
MolecularWeight: 240.0567
MdlNumber: MFCD04125620
Smiles: Brc1ccc(cc1)n1cn[nH]c1=O
Complexity: 236
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.6
CatalogNumber:
AF31615
ChemicalName:
4-(4-Bromophenyl)-1H-1,2,4-triazol-5(4H)-one
CasNumber:
214117-50-7
MolecularFormula:
C8H6BrN3O
MolecularWeight:
240.0567
MdlNumber:
MFCD04125620
Smiles:
Brc1ccc(cc1)n1cn[nH]c1=O
Complexity:
236
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.6
CatalogNumber: AF31616
ChemicalName: (3-Fluoropyridin-2-yl)methanol
CasNumber: 31181-79-0
MolecularFormula: C6H6FNO
MolecularWeight: 127.1163
MdlNumber: MFCD09025826
Smiles: OCc1ncccc1F
Complexity: 89.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.1
CatalogNumber:
AF31616
ChemicalName:
(3-Fluoropyridin-2-yl)methanol
CasNumber:
31181-79-0
MolecularFormula:
C6H6FNO
MolecularWeight:
127.1163
MdlNumber:
MFCD09025826
Smiles:
OCc1ncccc1F
Complexity:
89.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.1
CatalogNumber: AF31617
ChemicalName: 1-Benzyloxy-2-bromo-4-methylbenzene
CasNumber: 2830-53-7
MolecularFormula: C14H13BrO
MolecularWeight: 277.1564200000001
MdlNumber: MFCD09753753
Smiles: Cc1ccc(c(c1)Br)OCc1ccccc1
Complexity: 201
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 4.4
CatalogNumber:
AF31617
ChemicalName:
1-Benzyloxy-2-bromo-4-methylbenzene
CasNumber:
2830-53-7
MolecularFormula:
C14H13BrO
MolecularWeight:
277.1564200000001
MdlNumber:
MFCD09753753
Smiles:
Cc1ccc(c(c1)Br)OCc1ccccc1
Complexity:
201
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
4.4
CatalogNumber: AF31618
ChemicalName: 1,3-Dimethyluracil-5-boronic acid pinacol ester
CasNumber: 269410-01-7
MolecularFormula: C12H19BN2O4
MolecularWeight: 266.1013
MdlNumber: MFCD07781230
Smiles: O=c1c(cn(c(=O)n1C)C)B1OC(C(O1)(C)C)(C)C
Complexity: 456
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AF31618
ChemicalName:
1,3-Dimethyluracil-5-boronic acid pinacol ester
CasNumber:
269410-01-7
MolecularFormula:
C12H19BN2O4
MolecularWeight:
266.1013
MdlNumber:
MFCD07781230
Smiles:
O=c1c(cn(c(=O)n1C)C)B1OC(C(O1)(C)C)(C)C
Complexity:
456
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
__