Name: Name:BENZOIC ACID, 4-(1H-INDOL-2-YL)-, METHYL ESTER
Brand: Angene
SKU: AG00DBA4
Rating: 90 (10 reviews)

BENZOIC ACID, 4-(1H-INDOL-2-YL)-, METHYL ESTER

CAS No.:

485321-10-6

Catalog Number:

AG00DBA4

Molecular Formula:

C16H13NO2

Molecular Weight:

251.2799

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG00DBA4

Chemical Name:

BENZOIC ACID, 4-(1H-INDOL-2-YL)-, METHYL ESTER

CAS Number:

485321-10-6

Molecular Formula:

C16H13NO2

Molecular Weight:

251.2799

MDL Number:

MFCD11976326

IUPAC Name:

methyl 4-(1H-indol-2-yl)benzoate

InChI:

InChI=1S/C16H13NO2/c1-19-16(18)12-8-6-11(7-9-12)15-10-13-4-2-3-5-14(13)17-15/h2-10,17H,1H3

InChI Key:

LXPCCNBTEKIKLX-UHFFFAOYSA-N

SMILES:

COC(=O)c1ccc(cc1)c1cc2c([nH]1)cccc2

Properties

Complexity:

323

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

251.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

251.285g/mol

Monoisotopic Mass:

251.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

42.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6

Literature

Title	Journal
Structure-activity relationships of 2-aryl-1H-indole inhibitors of the NorA efflux pump in Staphylococcus aureus.	Bioorganic & medicinal chemistry letters 20080801

Properties