AI56222
773130-29-3 | (E)-3-(6-Bromopyridin-2-yl)acrylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI56222
ChemicalName
(E)-3-(6-Bromopyridin-2-yl)acrylic acid
CasNumber
773130-29-3
MolecularFormula
C8H6BrNO2
MolecularWeight
228.0427
MdlNumber
MFCD06205475
Smiles
OC(=O)/C=C/c1cccc(n1)Br
Complexity
194
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.9
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CatalogNumber: AI56222
ChemicalName: (E)-3-(6-Bromopyridin-2-yl)acrylic acid
CasNumber: 773130-29-3
MolecularFormula: C8H6BrNO2
MolecularWeight: 228.0427
MdlNumber: MFCD06205475
Smiles: OC(=O)/C=C/c1cccc(n1)Br
Complexity: 194
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.9
CatalogNumber:
AI56222
ChemicalName:
(E)-3-(6-Bromopyridin-2-yl)acrylic acid
CasNumber:
773130-29-3
MolecularFormula:
C8H6BrNO2
MolecularWeight:
228.0427
MdlNumber:
MFCD06205475
Smiles:
OC(=O)/C=C/c1cccc(n1)Br
Complexity:
194
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1C(F)(F)F)C=CC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1C(F)(F)F)C=CC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)/C=C/c1cc(C)cc(c1)F
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)/C=C/c1cc(C)cc(c1)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI56226
ChemicalName: Methyl 4-chloro-2,6-difluorobenzoate
CasNumber: 773134-12-6
MolecularFormula: C8H5ClF2O2
MolecularWeight: 206.5739
MdlNumber: MFCD06204170
Smiles: COC(=O)c1c(F)cc(cc1F)Cl
Complexity: 189
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AI56226
ChemicalName:
Methyl 4-chloro-2,6-difluorobenzoate
CasNumber:
773134-12-6
MolecularFormula:
C8H5ClF2O2
MolecularWeight:
206.5739
MdlNumber:
MFCD06204170
Smiles:
COC(=O)c1c(F)cc(cc1F)Cl
Complexity:
189
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.6