AH13235

682805-12-5 | 2-Chloro-5-(trifluoromethyl)cinnamic acid

Manufacturer: A2B Chem

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CatalogNumber

AH13235

ChemicalName

2-Chloro-5-(trifluoromethyl)cinnamic acid

CasNumber

682805-12-5

MolecularFormula

C10H6ClF3O2

MolecularWeight

250.6016

MdlNumber

MFCD03002852

Smiles

OC(=O)/C=C/c1cc(ccc1Cl)C(F)(F)F

Complexity

288

Covalently-bondedUnitCount

1

DefinedBondStereocenterCount

1

HeavyAtomCount

16

HydrogenBondAcceptorCount

5

HydrogenBondDonorCount

1

RotatableBondCount

2

Xlogp3

3.4

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A2B Chem

AH13235

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CatalogNumber:
AH13235

ChemicalName:
2-Chloro-5-(trifluoromethyl)cinnamic acid

CasNumber:
682805-12-5

MolecularFormula:
C10H6ClF3O2

MolecularWeight:
250.6016

MdlNumber:
MFCD03002852

Smiles:
OC(=O)/C=C/c1cc(ccc1Cl)C(F)(F)F

Complexity:
288

Covalently-bondedUnitCount:
1

DefinedBondStereocenterCount:
1

HeavyAtomCount:
16

HydrogenBondAcceptorCount:
5

HydrogenBondDonorCount:
1

RotatableBondCount:
2

Xlogp3:
3.4

Img

A2B Chem

AH13236

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CatalogNumber:
__

ChemicalName:
__

CasNumber:
__

MolecularFormula:
__

MolecularWeight:
__

MdlNumber:
__

Smiles:
COC(=O)c1ccccc1[N+]#[C-]

Complexity:
__

Covalently-bondedUnitCount:
__

DefinedBondStereocenterCount:
__

HeavyAtomCount:
__

HydrogenBondAcceptorCount:
__

HydrogenBondDonorCount:
__

RotatableBondCount:
__

Xlogp3:
__

Img

A2B Chem

AH13237

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CatalogNumber:
__

ChemicalName:
__

CasNumber:
__

MolecularFormula:
__

MolecularWeight:
__

MdlNumber:
__

Smiles:
O=Cc1c(nc2n1ccc(c2)C)c1ccc(cc1)F

Complexity:
__

Covalently-bondedUnitCount:
__

DefinedBondStereocenterCount:
__

HeavyAtomCount:
__

HydrogenBondAcceptorCount:
__

HydrogenBondDonorCount:
__

RotatableBondCount:
__

Xlogp3:
__

Img

A2B Chem

AH13238

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CatalogNumber:
__

ChemicalName:
__

CasNumber:
__

MolecularFormula:
__

MolecularWeight:
__

MdlNumber:
__

Smiles:
OC(=O)C(c1ccc(cc1)OCc1ccccc1)N

Complexity:
__

Covalently-bondedUnitCount:
__

DefinedBondStereocenterCount:
__

HeavyAtomCount:
__

HydrogenBondAcceptorCount:
__

HydrogenBondDonorCount:
__

RotatableBondCount:
__

Xlogp3:
__