AB14491
1878-71-3 | 3-Cyanophenylacetic acid
Manufacturer: A2B Chem
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CatalogNumber
AB14491
ChemicalName
3-Cyanophenylacetic acid
CasNumber
1878-71-3
MolecularFormula
C9H7NO2
MolecularWeight
161.1574
MdlNumber
MFCD06411079
Smiles
N#Cc1cccc(c1)CC(=O)O
Complexity
216
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.2
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CatalogNumber: AB14491
ChemicalName: 3-Cyanophenylacetic acid
CasNumber: 1878-71-3
MolecularFormula: C9H7NO2
MolecularWeight: 161.1574
MdlNumber: MFCD06411079
Smiles: N#Cc1cccc(c1)CC(=O)O
Complexity: 216
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.2
CatalogNumber:
AB14491
ChemicalName:
3-Cyanophenylacetic acid
CasNumber:
1878-71-3
MolecularFormula:
C9H7NO2
MolecularWeight:
161.1574
MdlNumber:
MFCD06411079
Smiles:
N#Cc1cccc(c1)CC(=O)O
Complexity:
216
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.2
CatalogNumber: AB14492
ChemicalName: 3-Iodophenylacetic acid
CasNumber: 1878-69-9
MolecularFormula: C8H7IO2
MolecularWeight: 262.0444
MdlNumber: MFCD00046548
Smiles: OC(=O)Cc1cccc(c1)I
Complexity: 147
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AB14492
ChemicalName:
3-Iodophenylacetic acid
CasNumber:
1878-69-9
MolecularFormula:
C8H7IO2
MolecularWeight:
262.0444
MdlNumber:
MFCD00046548
Smiles:
OC(=O)Cc1cccc(c1)I
Complexity:
147
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)Cc1ccc(cc1)Br
Complexity: 139
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)Cc1ccc(cc1)Br
Complexity:
139
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.3
CatalogNumber: AB14494
ChemicalName: (3-Bromophenyl)acetic acid
CasNumber: 1878-67-7
MolecularFormula: C8H7BrO2
MolecularWeight: 215.044
MdlNumber: MFCD00004330
Smiles: OC(=O)Cc1cccc(c1)Br
Complexity: 147
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AB14494
ChemicalName:
(3-Bromophenyl)acetic acid
CasNumber:
1878-67-7
MolecularFormula:
C8H7BrO2
MolecularWeight:
215.044
MdlNumber:
MFCD00004330
Smiles:
OC(=O)Cc1cccc(c1)Br
Complexity:
147
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.4