AE25269
1163707-72-9 | 5-Bromo-1-N-tert-butylbenzene-1,2-diamine
Manufacturer: A2B Chem
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CatalogNumber
AE25269
ChemicalName
5-Bromo-1-N-tert-butylbenzene-1,2-diamine
CasNumber
1163707-72-9
MolecularFormula
C10H15BrN2
MolecularWeight
243.1435
MdlNumber
MFCD21193928
Smiles
CC(Nc1cc(Br)ccc1N)(C)C
Complexity
165
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
2.9
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CatalogNumber: AE25269
ChemicalName: 5-Bromo-1-N-tert-butylbenzene-1,2-diamine
CasNumber: 1163707-72-9
MolecularFormula: C10H15BrN2
MolecularWeight: 243.1435
MdlNumber: MFCD21193928
Smiles: CC(Nc1cc(Br)ccc1N)(C)C
Complexity: 165
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 2.9
CatalogNumber:
AE25269
ChemicalName:
5-Bromo-1-N-tert-butylbenzene-1,2-diamine
CasNumber:
1163707-72-9
MolecularFormula:
C10H15BrN2
MolecularWeight:
243.1435
MdlNumber:
MFCD21193928
Smiles:
CC(Nc1cc(Br)ccc1N)(C)C
Complexity:
165
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
2.9
CatalogNumber: AE25270
ChemicalName: Cefoperazone sodium
CasNumber: 1094606-34-4
MolecularFormula: C25H26N9NaO8S2
MolecularWeight: 667.6492
MdlNumber: MFCD07793331
Smiles: CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c1ccc(cc1)O)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])CSc1nnnn1C.[Na+]
Complexity: 1250
Covalently-bondedUnitCount: 2
HeavyAtomCount: 45
HydrogenBondAcceptorCount: 13
HydrogenBondDonorCount: 3
RotatableBondCount: 9
Xlogp3: __
CatalogNumber:
AE25270
ChemicalName:
Cefoperazone sodium
CasNumber:
1094606-34-4
MolecularFormula:
C25H26N9NaO8S2
MolecularWeight:
667.6492
MdlNumber:
MFCD07793331
Smiles:
CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c1ccc(cc1)O)C(=O)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])CSc1nnnn1C.[Na+]
Complexity:
1250
Covalently-bondedUnitCount:
2
HeavyAtomCount:
45
HydrogenBondAcceptorCount:
13
HydrogenBondDonorCount:
3
RotatableBondCount:
9
Xlogp3:
__
CatalogNumber: AE25271
ChemicalName: 2-[(2-Chloroethyl)amino]ethyl benzoate HCl
CasNumber: 100129-68-8
MolecularFormula: C11H15Cl2NO2
MolecularWeight: 264.1483
MdlNumber: MFCD26523331
Smiles: ClCCNCCOC(=O)c1ccccc1.Cl
Complexity: 181
Covalently-bondedUnitCount: 2
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 7
Xlogp3: __
CatalogNumber:
AE25271
ChemicalName:
2-[(2-Chloroethyl)amino]ethyl benzoate HCl
CasNumber:
100129-68-8
MolecularFormula:
C11H15Cl2NO2
MolecularWeight:
264.1483
MdlNumber:
MFCD26523331
Smiles:
ClCCNCCOC(=O)c1ccccc1.Cl
Complexity:
181
Covalently-bondedUnitCount:
2
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
7
Xlogp3:
__
CatalogNumber: AE25272
ChemicalName: Methyl 4-(propane-1-sulfonamido)benzoate
CasNumber: 1153069-71-6
MolecularFormula: C11H15NO4S
MolecularWeight: 257.3061
MdlNumber: MFCD12487828
Smiles: CCCS(=O)(=O)Nc1ccc(cc1)C(=O)OC
Complexity: 339
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 1.6
CatalogNumber:
AE25272
ChemicalName:
Methyl 4-(propane-1-sulfonamido)benzoate
CasNumber:
1153069-71-6
MolecularFormula:
C11H15NO4S
MolecularWeight:
257.3061
MdlNumber:
MFCD12487828
Smiles:
CCCS(=O)(=O)Nc1ccc(cc1)C(=O)OC
Complexity:
339
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
1.6