AH90653

885273-59-6 | Ethyl 3-(2-carboxy-vinyl)-5-nitro-1H-indole-2-carboxylate

Manufacturer: A2B Chem

CAS Number: 885273-59-6

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Catalog Number

AH90653

Chemical Name

Ethyl 3-(2-carboxy-vinyl)-5-nitro-1H-indole-2-carboxylate

Cas Number

885273-59-6

Molecular Formula

C14H12N2O6

Molecular Weight

304.2549

Mdl Number

MFCD04114762

Smiles

CCOC(=O)c1[nH]c2c(c1/C=C/C(=O)O)cc(cc2)[N+](=O)[O-]

Complexity

486

Covalently-Bonded Unit Count

1

Defined Bond Stereocenter Count

1

Heavy Atom Count

22

Hydrogen Bond Acceptor Count

6

Hydrogen Bond Donor Count

2

Rotatable Bond Count

5

Xlogp3

2.4

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A2B Chem

AH90653

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Catalog Number:
AH90653

Chemical Name:
Ethyl 3-(2-carboxy-vinyl)-5-nitro-1H-indole-2-carboxylate

Cas Number:
885273-59-6

Molecular Formula:
C14H12N2O6

Molecular Weight:
304.2549

Mdl Number:
MFCD04114762

Smiles:
CCOC(=O)c1[nH]c2c(c1/C=C/C(=O)O)cc(cc2)[N+](=O)[O-]

Complexity:
486

Covalently-Bonded Unit Count:
1

Defined Bond Stereocenter Count:
1

Heavy Atom Count:
22

Hydrogen Bond Acceptor Count:
6

Hydrogen Bond Donor Count:
2

Rotatable Bond Count:
5

Xlogp3:
2.4

Img

A2B Chem

AH90654

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Catalog Number:
AH90654

Chemical Name:
2-Nitrophenethylamine hydrochloride

Cas Number:
861337-74-8

Molecular Formula:
C8H11ClN2O2

Molecular Weight:
202.6381

Mdl Number:
MFCD07371521

Smiles:
NCCc1ccccc1[N+](=O)[O-].Cl

Complexity:
__

Covalently-Bonded Unit Count:
__

Defined Bond Stereocenter Count:
__

Heavy Atom Count:
__

Hydrogen Bond Acceptor Count:
__

Hydrogen Bond Donor Count:
__

Rotatable Bond Count:
__

Xlogp3:
__

Img

A2B Chem

AH90655

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Catalog Number:
AH90655

Chemical Name:
(3-BOC-AMINO-AZETIDIN-1-YL)-THIOPHEN-3-YL-ACETIC ACID

Cas Number:
885276-08-4

Molecular Formula:
C14H20N2O4S

Molecular Weight:
312.3846

Mdl Number:
MFCD04115175

Smiles:
O=C(OC(C)(C)C)NC1CN(C1)C(c1cscc1)C(=O)O

Complexity:
__

Covalently-Bonded Unit Count:
__

Defined Bond Stereocenter Count:
__

Heavy Atom Count:
__

Hydrogen Bond Acceptor Count:
__

Hydrogen Bond Donor Count:
__

Rotatable Bond Count:
__

Xlogp3:
__

Img

A2B Chem

AH90656

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Catalog Number:
AH90656

Chemical Name:
[4-(4-CHLORO-PHENYL)-PIPERAZIN-1-YL]-PYRIDIN-3-YL-ACETIC ACID

Cas Number:
885276-88-0

Molecular Formula:
C17H18ClN3O2

Molecular Weight:
331.7967

Mdl Number:
MFCD04115204

Smiles:
Clc1ccc(cc1)N1CCN(CC1)C(c1cccnc1)C(=O)O

Complexity:
__

Covalently-Bonded Unit Count:
__

Defined Bond Stereocenter Count:
__

Heavy Atom Count:
__

Hydrogen Bond Acceptor Count:
__

Hydrogen Bond Donor Count:
__

Rotatable Bond Count:
__

Xlogp3:
__