AB75600

647020-63-1 | Methyl 2-chloro-5-fluorobenzoate

Manufacturer: A2B Chem

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CatalogNumber

AB75600

ChemicalName

Methyl 2-chloro-5-fluorobenzoate

CasNumber

647020-63-1

MolecularFormula

C8H6ClFO2

MolecularWeight

188.5834

MdlNumber

MFCD06204207

Smiles

COC(=O)c1cc(F)ccc1Cl

Complexity

174

Covalently-bondedUnitCount

1

HeavyAtomCount

12

HydrogenBondAcceptorCount

3

RotatableBondCount

2

Xlogp3

3.5

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Show Difference

Img

A2B Chem

AB75600

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CatalogNumber:
AB75600

ChemicalName:
Methyl 2-chloro-5-fluorobenzoate

CasNumber:
647020-63-1

MolecularFormula:
C8H6ClFO2

MolecularWeight:
188.5834

MdlNumber:
MFCD06204207

Smiles:
COC(=O)c1cc(F)ccc1Cl

Complexity:
174

Covalently-bondedUnitCount:
1

HeavyAtomCount:
12

HydrogenBondAcceptorCount:
3

RotatableBondCount:
2

Xlogp3:
3.5

Img

A2B Chem

AB75601

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CatalogNumber:
AB75601

ChemicalName:
methyl 2-chloro-5-methoxybenzoate

CasNumber:
54810-63-8

MolecularFormula:
C9H9ClO3

MolecularWeight:
200.619

MdlNumber:
MFCD12913365

Smiles:
COc1ccc(c(c1)C(=O)OC)Cl

Complexity:
184

Covalently-bondedUnitCount:
1

HeavyAtomCount:
13

HydrogenBondAcceptorCount:
3

RotatableBondCount:
3

Xlogp3:
3.4

Img

A2B Chem

AB75602

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CatalogNumber:
AB75602

ChemicalName:
Methyl 2-chloro-5-nitrobenzoate

CasNumber:
6307-82-0

MolecularFormula:
C8H6ClNO4

MolecularWeight:
215.5905

MdlNumber:
MFCD00184587

Smiles:
COC(=O)c1cc(ccc1Cl)[N+](=O)[O-]

Complexity:
240

Covalently-bondedUnitCount:
1

HeavyAtomCount:
14

HydrogenBondAcceptorCount:
4

RotatableBondCount:
2

Xlogp3:
2.4

Img

A2B Chem

AB75603

--


CatalogNumber:
__

ChemicalName:
__

CasNumber:
__

MolecularFormula:
__

MolecularWeight:
__

MdlNumber:
__

Smiles:
COC(=O)c1cc(C)nc(n1)Cl

Complexity:
177

Covalently-bondedUnitCount:
__

HeavyAtomCount:
__

HydrogenBondAcceptorCount:
__

RotatableBondCount:
__

Xlogp3:
1.8