AI40573
1820666-84-9 | 2-Bromo-5-methanesulfonyl-4-(trifluoromethoxy)aniline
Manufacturer: A2B Chem
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CatalogNumber
AI40573
ChemicalName
2-Bromo-5-methanesulfonyl-4-(trifluoromethoxy)aniline
CasNumber
1820666-84-9
MolecularFormula
C8H7BrF3NO3S
MolecularWeight
334.1103
MdlNumber
MFCD28369618
Smiles
Nc1cc(c(cc1Br)OC(F)(F)F)S(=O)(=O)C
Complexity
367
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.4
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CatalogNumber: AI40573
ChemicalName: 2-Bromo-5-methanesulfonyl-4-(trifluoromethoxy)aniline
CasNumber: 1820666-84-9
MolecularFormula: C8H7BrF3NO3S
MolecularWeight: 334.1103
MdlNumber: MFCD28369618
Smiles: Nc1cc(c(cc1Br)OC(F)(F)F)S(=O)(=O)C
Complexity: 367
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AI40573
ChemicalName:
2-Bromo-5-methanesulfonyl-4-(trifluoromethoxy)aniline
CasNumber:
1820666-84-9
MolecularFormula:
C8H7BrF3NO3S
MolecularWeight:
334.1103
MdlNumber:
MFCD28369618
Smiles:
Nc1cc(c(cc1Br)OC(F)(F)F)S(=O)(=O)C
Complexity:
367
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cncc(c1)c1ccc(c(c1)F)C(=O)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cncc(c1)c1ccc(c(c1)F)C(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI40575
ChemicalName: 4-Chloro-2-fluorophenylthiocyanate
CasNumber: 1820666-86-1
MolecularFormula: C7H3ClFNS
MolecularWeight: 187.6218
MdlNumber: MFCD27578172
Smiles: N#CSc1ccc(cc1F)Cl
Complexity: 179
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 3.2
CatalogNumber:
AI40575
ChemicalName:
4-Chloro-2-fluorophenylthiocyanate
CasNumber:
1820666-86-1
MolecularFormula:
C7H3ClFNS
MolecularWeight:
187.6218
MdlNumber:
MFCD27578172
Smiles:
N#CSc1ccc(cc1F)Cl
Complexity:
179
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cc(cc(c1)c1cccc(c1)C)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cc(cc(c1)c1cccc(c1)C)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__