AI39615

180079-93-0 | tert-Butyl 3-nitrophenethylcarbamate

Manufacturer: A2B Chem

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CatalogNumber

AI39615

ChemicalName

tert-Butyl 3-nitrophenethylcarbamate

CasNumber

180079-93-0

MolecularFormula

C13H18N2O4

MolecularWeight

266.29302

MdlNumber

MFCD16620905

Smiles

O=C(OC(C)(C)C)NCCc1cccc(c1)[N+](=O)[O-]

Complexity

320

Covalently-bondedUnitCount

1

HeavyAtomCount

19

HydrogenBondAcceptorCount

4

HydrogenBondDonorCount

1

RotatableBondCount

5

Xlogp3

2.7

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A2B Chem

AI39615

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CatalogNumber:
AI39615

ChemicalName:
tert-Butyl 3-nitrophenethylcarbamate

CasNumber:
180079-93-0

MolecularFormula:
C13H18N2O4

MolecularWeight:
266.29302

MdlNumber:
MFCD16620905

Smiles:
O=C(OC(C)(C)C)NCCc1cccc(c1)[N+](=O)[O-]

Complexity:
320

Covalently-bondedUnitCount:
1

HeavyAtomCount:
19

HydrogenBondAcceptorCount:
4

HydrogenBondDonorCount:
1

RotatableBondCount:
5

Xlogp3:
2.7

Img

A2B Chem

AI39616

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CatalogNumber:
__

ChemicalName:
__

CasNumber:
__

MolecularFormula:
__

MolecularWeight:
__

MdlNumber:
__

Smiles:
CN(C)S(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O

Complexity:
__

Covalently-bondedUnitCount:
__

HeavyAtomCount:
__

HydrogenBondAcceptorCount:
__

HydrogenBondDonorCount:
__

RotatableBondCount:
__

Xlogp3:
__

Img

A2B Chem

AI39617

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CatalogNumber:
__

ChemicalName:
__

CasNumber:
__

MolecularFormula:
__

MolecularWeight:
__

MdlNumber:
__

Smiles:
OB(c1ccc2c(c1)cn(n2)C(C)C)O

Complexity:
226

Covalently-bondedUnitCount:
__

HeavyAtomCount:
__

HydrogenBondAcceptorCount:
__

HydrogenBondDonorCount:
__

RotatableBondCount:
__

Xlogp3:
__

Img

A2B Chem

AI39618

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CatalogNumber:
__

ChemicalName:
__

CasNumber:
__

MolecularFormula:
__

MolecularWeight:
__

MdlNumber:
__

Smiles:
BrCC1CC(C1)C(=O)OCc1ccccc1

Complexity:
__

Covalently-bondedUnitCount:
__

HeavyAtomCount:
__

HydrogenBondAcceptorCount:
__

HydrogenBondDonorCount:
__

RotatableBondCount:
__

Xlogp3:
__