AB65678
38985-72-7 | 4-(2-Fluorophenyl)-3-thiosemicarbazide
Manufacturer: A2B Chem
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CatalogNumber
AB65678
ChemicalName
4-(2-Fluorophenyl)-3-thiosemicarbazide
CasNumber
38985-72-7
MolecularFormula
C7H8FN3S
MolecularWeight
185.2219
MdlNumber
MFCD00041269
Smiles
NNC(=S)Nc1ccccc1F
NscNumber
129261
Complexity
165
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
3
RotatableBondCount
1
Xlogp3
0.6
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CatalogNumber: AB65678
ChemicalName: 4-(2-Fluorophenyl)-3-thiosemicarbazide
CasNumber: 38985-72-7
MolecularFormula: C7H8FN3S
MolecularWeight: 185.2219
MdlNumber: MFCD00041269
Smiles: NNC(=S)Nc1ccccc1F
NscNumber: 129261
Complexity: 165
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 1
Xlogp3: 0.6
CatalogNumber:
AB65678
ChemicalName:
4-(2-Fluorophenyl)-3-thiosemicarbazide
CasNumber:
38985-72-7
MolecularFormula:
C7H8FN3S
MolecularWeight:
185.2219
MdlNumber:
MFCD00041269
Smiles:
NNC(=S)Nc1ccccc1F
NscNumber:
129261
Complexity:
165
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
1
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(NNc1ccc(cc1)C(=O)O)OCC1c2ccccc2-c2c1cccc2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(NNc1ccc(cc1)C(=O)O)OCC1c2ccccc2-c2c1cccc2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB65680
ChemicalName: 4-(2-Furyl)-3-buten-2-one
CasNumber: 623-15-4
MolecularFormula: C8H8O2
MolecularWeight: 136.14792
MdlNumber: MFCD00039566
Smiles: CC(=O)/C=C/c1ccco1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB65680
ChemicalName:
4-(2-Furyl)-3-buten-2-one
CasNumber:
623-15-4
MolecularFormula:
C8H8O2
MolecularWeight:
136.14792
MdlNumber:
MFCD00039566
Smiles:
CC(=O)/C=C/c1ccco1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB65681
ChemicalName: 4-(2-Hydroxypropan-2-yl)phenylboronic acid
CasNumber: 886593-45-9
MolecularFormula: C9H13BO3
MolecularWeight: 180.0087
MdlNumber: MFCD09992905
Smiles: OB(c1ccc(cc1)C(O)(C)C)O
NscNumber: __
Complexity: 162
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AB65681
ChemicalName:
4-(2-Hydroxypropan-2-yl)phenylboronic acid
CasNumber:
886593-45-9
MolecularFormula:
C9H13BO3
MolecularWeight:
180.0087
MdlNumber:
MFCD09992905
Smiles:
OB(c1ccc(cc1)C(O)(C)C)O
NscNumber:
__
Complexity:
162
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
__