AG32843
51485-76-8 | (2E)-3-(1-Methyl-1h-pyrrol-2-yl)acrylic acid
Manufacturer: A2B Chem
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CatalogNumber
AG32843
ChemicalName
(2E)-3-(1-Methyl-1h-pyrrol-2-yl)acrylic acid
CasNumber
51485-76-8
MolecularFormula
C8H9NO2
MolecularWeight
151.1626
MdlNumber
MFCD06205254
Smiles
OC(=O)/C=C/c1cccn1C
Complexity
177
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.7
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CatalogNumber: AG32843
ChemicalName: (2E)-3-(1-Methyl-1h-pyrrol-2-yl)acrylic acid
CasNumber: 51485-76-8
MolecularFormula: C8H9NO2
MolecularWeight: 151.1626
MdlNumber: MFCD06205254
Smiles: OC(=O)/C=C/c1cccn1C
Complexity: 177
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.7
CatalogNumber:
AG32843
ChemicalName:
(2E)-3-(1-Methyl-1h-pyrrol-2-yl)acrylic acid
CasNumber:
51485-76-8
MolecularFormula:
C8H9NO2
MolecularWeight:
151.1626
MdlNumber:
MFCD06205254
Smiles:
OC(=O)/C=C/c1cccn1C
Complexity:
177
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.7
CatalogNumber: AG32844
ChemicalName: 2-Chloro-4-(2,4-difluorophenyl)benzoic acid
CasNumber: 505082-89-3
MolecularFormula: C13H7ClF2O2
MolecularWeight: 268.6433
MdlNumber: MFCD18319951
Smiles: Fc1ccc(c(c1)F)c1ccc(c(c1)Cl)C(=O)O
Complexity: 313
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 4.9
CatalogNumber:
AG32844
ChemicalName:
2-Chloro-4-(2,4-difluorophenyl)benzoic acid
CasNumber:
505082-89-3
MolecularFormula:
C13H7ClF2O2
MolecularWeight:
268.6433
MdlNumber:
MFCD18319951
Smiles:
Fc1ccc(c(c1)F)c1ccc(c(c1)Cl)C(=O)O
Complexity:
313
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
4.9
CatalogNumber: AG32845
ChemicalName: 1-Bromo-3-(difluoromethoxy)-5-fluorobenzene
CasNumber: 433939-28-7
MolecularFormula: C7H4BrF3O
MolecularWeight: 241.0053
MdlNumber: MFCD18390899
Smiles: FC(Oc1cc(F)cc(c1)Br)F
Complexity: 145
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3.6
CatalogNumber:
AG32845
ChemicalName:
1-Bromo-3-(difluoromethoxy)-5-fluorobenzene
CasNumber:
433939-28-7
MolecularFormula:
C7H4BrF3O
MolecularWeight:
241.0053
MdlNumber:
MFCD18390899
Smiles:
FC(Oc1cc(F)cc(c1)Br)F
Complexity:
145
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1=CC=CC2=C1C3C(CC2=O)CC(=O)C4=C3C(=CC=C4)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1=CC=CC2=C1C3C(CC2=O)CC(=O)C4=C3C(=CC=C4)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__