AB14933
188355-96-6 | 5-Nitro-3-phenylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB14933
ChemicalName
5-Nitro-3-phenylbenzoic acid
CasNumber
188355-96-6
MolecularFormula
C13H9NO4
MolecularWeight
243.2149
MdlNumber
MFCD14702153
Smiles
OC(=O)c1cc(cc(c1)[N+](=O)[O-])c1ccccc1
Complexity
319
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.9
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CatalogNumber: AB14933
ChemicalName: 5-Nitro-3-phenylbenzoic acid
CasNumber: 188355-96-6
MolecularFormula: C13H9NO4
MolecularWeight: 243.2149
MdlNumber: MFCD14702153
Smiles: OC(=O)c1cc(cc(c1)[N+](=O)[O-])c1ccccc1
Complexity: 319
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.9
CatalogNumber:
AB14933
ChemicalName:
5-Nitro-3-phenylbenzoic acid
CasNumber:
188355-96-6
MolecularFormula:
C13H9NO4
MolecularWeight:
243.2149
MdlNumber:
MFCD14702153
Smiles:
OC(=O)c1cc(cc(c1)[N+](=O)[O-])c1ccccc1
Complexity:
319
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.9
CatalogNumber: AB14935
ChemicalName: 3,5-Dibromoaniline, HCl
CasNumber: 188349-40-8
MolecularFormula: C6H6Br2ClN
MolecularWeight: 287.3795
MdlNumber: MFCD09800855
Smiles: Nc1cc(Br)cc(c1)Br.Cl
Complexity: 87.1
Covalently-bondedUnitCount: 2
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB14935
ChemicalName:
3,5-Dibromoaniline, HCl
CasNumber:
188349-40-8
MolecularFormula:
C6H6Br2ClN
MolecularWeight:
287.3795
MdlNumber:
MFCD09800855
Smiles:
Nc1cc(Br)cc(c1)Br.Cl
Complexity:
87.1
Covalently-bondedUnitCount:
2
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB14936
ChemicalName: N-Boc-d-cyclohexylglycinol
CasNumber: 188348-00-7
MolecularFormula: C13H25NO3
MolecularWeight: 243.3425
MdlNumber: MFCD04112590
Smiles: OC[C@@H](C1CCCCC1)NC(=O)OC(C)(C)C
Complexity: 242
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 2.7
CatalogNumber:
AB14936
ChemicalName:
N-Boc-d-cyclohexylglycinol
CasNumber:
188348-00-7
MolecularFormula:
C13H25NO3
MolecularWeight:
243.3425
MdlNumber:
MFCD04112590
Smiles:
OC[C@@H](C1CCCCC1)NC(=O)OC(C)(C)C
Complexity:
242
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
2.7
CatalogNumber: AB14937
ChemicalName: 3,5-Dibromophenylacetic acid
CasNumber: 188347-49-1
MolecularFormula: C8H6Br2O2
MolecularWeight: 293.94
MdlNumber: MFCD07787513
Smiles: OC(=O)Cc1cc(Br)cc(c1)Br
Complexity: 162
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.8
CatalogNumber:
AB14937
ChemicalName:
3,5-Dibromophenylacetic acid
CasNumber:
188347-49-1
MolecularFormula:
C8H6Br2O2
MolecularWeight:
293.94
MdlNumber:
MFCD07787513
Smiles:
OC(=O)Cc1cc(Br)cc(c1)Br
Complexity:
162
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.8