AB43936

117738-77-9 | 2-Chloro-4-cyanobenzoic acid

Manufacturer: A2B Chem

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CatalogNumber

AB43936

ChemicalName

2-Chloro-4-cyanobenzoic acid

CasNumber

117738-77-9

MolecularFormula

C8H4ClNO2

MolecularWeight

181.5759

MdlNumber

MFCD11036377

Smiles

N#Cc1ccc(c(c1)Cl)C(=O)O

NscNumber

28694

Complexity

233

Covalently-bondedUnitCount

1

HeavyAtomCount

12

HydrogenBondAcceptorCount

3

HydrogenBondDonorCount

1

RotatableBondCount

1

Xlogp3

1.9

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A2B Chem

AB43936

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CatalogNumber:
AB43936

ChemicalName:
2-Chloro-4-cyanobenzoic acid

CasNumber:
117738-77-9

MolecularFormula:
C8H4ClNO2

MolecularWeight:
181.5759

MdlNumber:
MFCD11036377

Smiles:
N#Cc1ccc(c(c1)Cl)C(=O)O

NscNumber:
28694

Complexity:
233

Covalently-bondedUnitCount:
1

HeavyAtomCount:
12

HydrogenBondAcceptorCount:
3

HydrogenBondDonorCount:
1

RotatableBondCount:
1

Xlogp3:
1.9

Img

A2B Chem

AB43937

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CatalogNumber:
AB43937

ChemicalName:
2'-Chloro-4'-fluoroacetophenone

CasNumber:
700-35-6

MolecularFormula:
C8H6ClFO

MolecularWeight:
172.584

MdlNumber:
MFCD00042202

Smiles:
Fc1ccc(c(c1)Cl)C(=O)C

NscNumber:
__

Complexity:
160

Covalently-bondedUnitCount:
1

HeavyAtomCount:
11

HydrogenBondAcceptorCount:
2

HydrogenBondDonorCount:
__

RotatableBondCount:
1

Xlogp3:
2.3

Img

A2B Chem

AB43938

--


CatalogNumber:
AB43938

ChemicalName:
2-Chloro-4-fluorobenzaldehyde

CasNumber:
84194-36-5

MolecularFormula:
C7H4ClFO

MolecularWeight:
158.5575

MdlNumber:
MFCD00042527

Smiles:
O=Cc1ccc(cc1Cl)F

NscNumber:
__

Complexity:
129

Covalently-bondedUnitCount:
1

HeavyAtomCount:
10

HydrogenBondAcceptorCount:
2

HydrogenBondDonorCount:
__

RotatableBondCount:
1

Xlogp3:
2.1

Img

A2B Chem

AB43939

--


CatalogNumber:
__

ChemicalName:
__

CasNumber:
__

MolecularFormula:
__

MolecularWeight:
__

MdlNumber:
__

Smiles:
Fc1ccc(c(c1)Cl)C(=O)O

NscNumber:
__

Complexity:
163

Covalently-bondedUnitCount:
__

HeavyAtomCount:
__

HydrogenBondAcceptorCount:
__

HydrogenBondDonorCount:
__

RotatableBondCount:
__

Xlogp3:
2.3