AA96076
1807244-07-0 | methyl 4-bromo-2,3-difluorobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AA96076
ChemicalName
methyl 4-bromo-2,3-difluorobenzoate
CasNumber
1807244-07-0
MolecularFormula
C8H5BrF2O2
MolecularWeight
251.0249
MdlNumber
MFCD27578309
Smiles
COC(=O)c1ccc(c(c1F)F)Br
Complexity
201
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
2.7
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CatalogNumber: AA96076
ChemicalName: methyl 4-bromo-2,3-difluorobenzoate
CasNumber: 1807244-07-0
MolecularFormula: C8H5BrF2O2
MolecularWeight: 251.0249
MdlNumber: MFCD27578309
Smiles: COC(=O)c1ccc(c(c1F)F)Br
Complexity: 201
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AA96076
ChemicalName:
methyl 4-bromo-2,3-difluorobenzoate
CasNumber:
1807244-07-0
MolecularFormula:
C8H5BrF2O2
MolecularWeight:
251.0249
MdlNumber:
MFCD27578309
Smiles:
COC(=O)c1ccc(c(c1F)F)Br
Complexity:
201
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CCn1nccc1C
Complexity: 149
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CCn1nccc1C
Complexity:
149
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.1
CatalogNumber: AA96078
ChemicalName: (5-Methyl-1h-pyrazol-1-yl)acetic acid
CasNumber: 180741-44-0
MolecularFormula: C6H8N2O2
MolecularWeight: 140.1399
MdlNumber: MFCD03419599
Smiles: OC(=O)Cn1nccc1C
Complexity: 138
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 0.3
CatalogNumber:
AA96078
ChemicalName:
(5-Methyl-1h-pyrazol-1-yl)acetic acid
CasNumber:
180741-44-0
MolecularFormula:
C6H8N2O2
MolecularWeight:
140.1399
MdlNumber:
MFCD03419599
Smiles:
OC(=O)Cn1nccc1C
Complexity:
138
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
0.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCCn1cccn1
Complexity: 77.5
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: -0.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCCn1cccn1
Complexity:
77.5
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.8