AA23891
1193162-18-3 | Methyl 4-bromo-2-fluoro-6-hydroxybenzoate
Manufacturer: A2B Chem
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CatalogNumber
AA23891
ChemicalName
Methyl 4-bromo-2-fluoro-6-hydroxybenzoate
CasNumber
1193162-18-3
MolecularFormula
C8H6BrFO3
MolecularWeight
249.0338
MdlNumber
MFCD26391668
Smiles
COC(=O)c1c(O)cc(cc1F)Br
Complexity
200
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.8
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CatalogNumber: AA23891
ChemicalName: Methyl 4-bromo-2-fluoro-6-hydroxybenzoate
CasNumber: 1193162-18-3
MolecularFormula: C8H6BrFO3
MolecularWeight: 249.0338
MdlNumber: MFCD26391668
Smiles: COC(=O)c1c(O)cc(cc1F)Br
Complexity: 200
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.8
CatalogNumber:
AA23891
ChemicalName:
Methyl 4-bromo-2-fluoro-6-hydroxybenzoate
CasNumber:
1193162-18-3
MolecularFormula:
C8H6BrFO3
MolecularWeight:
249.0338
MdlNumber:
MFCD26391668
Smiles:
COC(=O)c1c(O)cc(cc1F)Br
Complexity:
200
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.8
CatalogNumber: AA23892
ChemicalName: 5-Bromo-2-(bromomethyl)pyrimidine
CasNumber: 1193116-74-3
MolecularFormula: C5H4Br2N2
MolecularWeight: 251.9067
MdlNumber: MFCD16606298
Smiles: BrCc1ncc(cn1)Br
Complexity: 81
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 1.5
CatalogNumber:
AA23892
ChemicalName:
5-Bromo-2-(bromomethyl)pyrimidine
CasNumber:
1193116-74-3
MolecularFormula:
C5H4Br2N2
MolecularWeight:
251.9067
MdlNumber:
MFCD16606298
Smiles:
BrCc1ncc(cn1)Br
Complexity:
81
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC1(CC1)N(Cc1ccccc1)Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC1(CC1)N(Cc1ccccc1)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA23894
ChemicalName: H-D-Allo-thr(tbu)-oh
CasNumber: 119323-52-3
MolecularFormula: C8H17NO3
MolecularWeight: 175.22548000000003
MdlNumber: MFCD00153464
Smiles: C[C@H]([C@H](C(=O)O)N)OC(C)(C)C
Complexity: 162
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: -2.1
CatalogNumber:
AA23894
ChemicalName:
H-D-Allo-thr(tbu)-oh
CasNumber:
119323-52-3
MolecularFormula:
C8H17NO3
MolecularWeight:
175.22548000000003
MdlNumber:
MFCD00153464
Smiles:
C[C@H]([C@H](C(=O)O)N)OC(C)(C)C
Complexity:
162
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
-2.1