AB18667
20849-78-9 | 4-(2-Chloroethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB18667
ChemicalName
4-(2-Chloroethyl)benzoic acid
CasNumber
20849-78-9
MolecularFormula
C9H9ClO2
MolecularWeight
184.6196
MdlNumber
MFCD00013995
Smiles
ClCCc1ccc(cc1)C(=O)O
Complexity
151
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.9
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CatalogNumber: AB18667
ChemicalName: 4-(2-Chloroethyl)benzoic acid
CasNumber: 20849-78-9
MolecularFormula: C9H9ClO2
MolecularWeight: 184.6196
MdlNumber: MFCD00013995
Smiles: ClCCc1ccc(cc1)C(=O)O
Complexity: 151
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.9
CatalogNumber:
AB18667
ChemicalName:
4-(2-Chloroethyl)benzoic acid
CasNumber:
20849-78-9
MolecularFormula:
C9H9ClO2
MolecularWeight:
184.6196
MdlNumber:
MFCD00013995
Smiles:
ClCCc1ccc(cc1)C(=O)O
Complexity:
151
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [N-]=[N+]=NC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[N-]=[N+]=NC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@H](Cc1cccc(c1)I)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@H](Cc1cccc(c1)I)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB18677
ChemicalName: 3-(3,4-Dimethoxyphenyl)-1h-pyrazol-5-amine
CasNumber: 208519-08-8
MolecularFormula: C11H13N3O2
MolecularWeight: 219.2398
MdlNumber: MFCD02664228
Smiles: COc1cc(ccc1OC)c1[nH]nc(c1)N
Complexity: 227
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AB18677
ChemicalName:
3-(3,4-Dimethoxyphenyl)-1h-pyrazol-5-amine
CasNumber:
208519-08-8
MolecularFormula:
C11H13N3O2
MolecularWeight:
219.2398
MdlNumber:
MFCD02664228
Smiles:
COc1cc(ccc1OC)c1[nH]nc(c1)N
Complexity:
227
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.5