AD83442
89469-52-3 | 4-Cyano-2-methoxybenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AD83442
ChemicalName
4-Cyano-2-methoxybenzoic acid
CasNumber
89469-52-3
MolecularFormula
C9H7NO3
MolecularWeight
177.15678
MdlNumber
MFCD11520909
Smiles
COc1cc(C#N)ccc1C(=O)O
Complexity
243
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1
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CatalogNumber: AD83442
ChemicalName: 4-Cyano-2-methoxybenzoic acid
CasNumber: 89469-52-3
MolecularFormula: C9H7NO3
MolecularWeight: 177.15678
MdlNumber: MFCD11520909
Smiles: COc1cc(C#N)ccc1C(=O)O
Complexity: 243
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1
CatalogNumber:
AD83442
ChemicalName:
4-Cyano-2-methoxybenzoic acid
CasNumber:
89469-52-3
MolecularFormula:
C9H7NO3
MolecularWeight:
177.15678
MdlNumber:
MFCD11520909
Smiles:
COc1cc(C#N)ccc1C(=O)O
Complexity:
243
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ncc(c(c1Cl)C(F)(F)F)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ncc(c(c1Cl)C(F)(F)F)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AD83467
ChemicalName: 2,3-Dichloro-4-(trifluoromethyl)pyridine
CasNumber: 89719-93-7
MolecularFormula: C6H2Cl2F3N
MolecularWeight: 215.988
MdlNumber: MFCD14525481
Smiles: Clc1nccc(c1Cl)C(F)(F)F
Complexity: 161
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.3
CatalogNumber:
AD83467
ChemicalName:
2,3-Dichloro-4-(trifluoromethyl)pyridine
CasNumber:
89719-93-7
MolecularFormula:
C6H2Cl2F3N
MolecularWeight:
215.988
MdlNumber:
MFCD14525481
Smiles:
Clc1nccc(c1Cl)C(F)(F)F
Complexity:
161
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NNc1n[nH]c(=O)[nH]c1=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NNc1n[nH]c(=O)[nH]c1=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__