AB58985
872141-25-8 | (3-Fluoro-2-nitrophenyl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AB58985
ChemicalName
(3-Fluoro-2-nitrophenyl)acetic acid
CasNumber
872141-25-8
MolecularFormula
C8H6FNO4
MolecularWeight
199.1359
MdlNumber
MFCD13192267
Smiles
OC(=O)Cc1cccc(c1[N+](=O)[O-])F
Complexity
240
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.3
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CatalogNumber: AB58985
ChemicalName: (3-Fluoro-2-nitrophenyl)acetic acid
CasNumber: 872141-25-8
MolecularFormula: C8H6FNO4
MolecularWeight: 199.1359
MdlNumber: MFCD13192267
Smiles: OC(=O)Cc1cccc(c1[N+](=O)[O-])F
Complexity: 240
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AB58985
ChemicalName:
(3-Fluoro-2-nitrophenyl)acetic acid
CasNumber:
872141-25-8
MolecularFormula:
C8H6FNO4
MolecularWeight:
199.1359
MdlNumber:
MFCD13192267
Smiles:
OC(=O)Cc1cccc(c1[N+](=O)[O-])F
Complexity:
240
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.3
CatalogNumber: AB58986
ChemicalName: 2-(3'-Fluorobenzyloxy)phenylboronic acid
CasNumber: 871126-24-8
MolecularFormula: C13H12BFO3
MolecularWeight: 246.042
MdlNumber: MFCD07784392
Smiles: Fc1cccc(c1)COc1ccccc1B(O)O
Complexity: 252
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: __
CatalogNumber:
AB58986
ChemicalName:
2-(3'-Fluorobenzyloxy)phenylboronic acid
CasNumber:
871126-24-8
MolecularFormula:
C13H12BFO3
MolecularWeight:
246.042
MdlNumber:
MFCD07784392
Smiles:
Fc1cccc(c1)COc1ccccc1B(O)O
Complexity:
252
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCOc1cccc(c1)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCCOc1cccc(c1)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)N/N=C\1/C=C2C(O)CN(C2=CC1=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)N/N=C\1/C=C2C(O)CN(C2=CC1=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__