Compound C16H16ClN3O4

7-[(2-amino-2-phenylacetyl)amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CAS: 760915-44-4

Molecular Formula	`C16H16ClN3O4`
Molecular Weight	349.77 g/mol
LogP	-1.7
Topological Polar Surface Area	113.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	349.08295
Heavy Atoms	24
Complexity	600.0

Chemical Identifiers

CAS Number	760915-44-4
SMILES	`C1CC(=C(N2C1C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)Cl`
InChIKey	`JAPHQRWPEGVNBT-UHFFFAOYSA-N`

📖 Product Overview

Compound C16H16ClN3O4 (CAS: 760915-44-4) is a chemical compound with molecular formula C16H16ClN3O4 and molecular weight 349.77 g/mol. Its IUPAC systematic name is 7-[(2-amino-2-phenylacetyl)amino]-3-chloro-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. LogP -1.7 Topological Polar Surface Area 113.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 5 Rotatable Bonds 4 Exact Mass 349.08295 Heavy Atoms 24 Complexity 600.0 InChI Key: JAPHQRWPEGVNBT-UHFFFAOYSA-N. SMILES: C1CC(=C(N2C1C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)Cl.

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