AG77896
641571-03-1 | N-BOC-3-Bromo-5-trifluoromethylaniline
Manufacturer: A2B Chem
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CatalogNumber
AG77896
ChemicalName
N-BOC-3-Bromo-5-trifluoromethylaniline
CasNumber
641571-03-1
MolecularFormula
C12H13BrF3NO2
MolecularWeight
340.13632959999995
MdlNumber
MFCD11504832
Smiles
O=C(OC(C)(C)C)Nc1cc(Br)cc(c1)C(F)(F)F
Complexity
328
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
4.1
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CatalogNumber: AG77896
ChemicalName: N-BOC-3-Bromo-5-trifluoromethylaniline
CasNumber: 641571-03-1
MolecularFormula: C12H13BrF3NO2
MolecularWeight: 340.13632959999995
MdlNumber: MFCD11504832
Smiles: O=C(OC(C)(C)C)Nc1cc(Br)cc(c1)C(F)(F)F
Complexity: 328
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 4.1
CatalogNumber:
AG77896
ChemicalName:
N-BOC-3-Bromo-5-trifluoromethylaniline
CasNumber:
641571-03-1
MolecularFormula:
C12H13BrF3NO2
MolecularWeight:
340.13632959999995
MdlNumber:
MFCD11504832
Smiles:
O=C(OC(C)(C)C)Nc1cc(Br)cc(c1)C(F)(F)F
Complexity:
328
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
4.1
CatalogNumber: AG77897
ChemicalName: 1-Bromo-4-fluoro-2-isopropoxybenzene
CasNumber: 610797-49-4
MolecularFormula: C9H10BrFO
MolecularWeight: 233.0775
MdlNumber: MFCD10699697
Smiles: CC(Oc1cc(F)ccc1Br)C
Complexity: 141
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3.5
CatalogNumber:
AG77897
ChemicalName:
1-Bromo-4-fluoro-2-isopropoxybenzene
CasNumber:
610797-49-4
MolecularFormula:
C9H10BrFO
MolecularWeight:
233.0775
MdlNumber:
MFCD10699697
Smiles:
CC(Oc1cc(F)ccc1Br)C
Complexity:
141
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N1CCC(CC1)Oc1nccnc1.Cl
Complexity: 148
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N1CCC(CC1)Oc1nccnc1.Cl
Complexity:
148
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG77900
ChemicalName: N-(2,2-Dimethoxyethyl)-4-methylbenzenesulfonamide
CasNumber: 58754-95-3
MolecularFormula: C11H17NO4S
MolecularWeight: 259.322
MdlNumber: MFCD00971347
Smiles: COC(CNS(=O)(=O)c1ccc(cc1)C)OC
Complexity: 300
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 1.1
CatalogNumber:
AG77900
ChemicalName:
N-(2,2-Dimethoxyethyl)-4-methylbenzenesulfonamide
CasNumber:
58754-95-3
MolecularFormula:
C11H17NO4S
MolecularWeight:
259.322
MdlNumber:
MFCD00971347
Smiles:
COC(CNS(=O)(=O)c1ccc(cc1)C)OC
Complexity:
300
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
1.1