AA97135
18179-39-0 | Methyl 4-iodosalicylate
Manufacturer: A2B Chem
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CatalogNumber
AA97135
ChemicalName
Methyl 4-iodosalicylate
CasNumber
18179-39-0
MolecularFormula
C8H7IO3
MolecularWeight
278.0439
MdlNumber
MFCD06797864
Smiles
COC(=O)c1ccc(cc1O)I
Complexity
172
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3
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CatalogNumber: AA97135
ChemicalName: Methyl 4-iodosalicylate
CasNumber: 18179-39-0
MolecularFormula: C8H7IO3
MolecularWeight: 278.0439
MdlNumber: MFCD06797864
Smiles: COC(=O)c1ccc(cc1O)I
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3
CatalogNumber:
AA97135
ChemicalName:
Methyl 4-iodosalicylate
CasNumber:
18179-39-0
MolecularFormula:
C8H7IO3
MolecularWeight:
278.0439
MdlNumber:
MFCD06797864
Smiles:
COC(=O)c1ccc(cc1O)I
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo].N.N.N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo].N.N.N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@@H](C(=O)Nc1cc(C=Cc2cc(OC)c(c(c2)OC)OC)ccc1OC)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@@H](C(=O)Nc1cc(C=Cc2cc(OC)c(c(c2)OC)OC)ccc1OC)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA97139
ChemicalName: 5-Bromo-2-(difluoromethoxy)-1,3-difluorobenzene
CasNumber: 181806-67-7
MolecularFormula: C7H3BrF4O
MolecularWeight: 258.9957
MdlNumber: MFCD17012938
Smiles: FC(Oc1c(F)cc(cc1F)Br)F
Complexity: 157
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3.7
CatalogNumber:
AA97139
ChemicalName:
5-Bromo-2-(difluoromethoxy)-1,3-difluorobenzene
CasNumber:
181806-67-7
MolecularFormula:
C7H3BrF4O
MolecularWeight:
258.9957
MdlNumber:
MFCD17012938
Smiles:
FC(Oc1c(F)cc(cc1F)Br)F
Complexity:
157
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3.7