QX77 25mg

CAT: 0628-A13379-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0628-A13379-25Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1798331-92-6

Chemical Information

N-[4-(7-Chloro-2H-1,4-benzoxazin-3-yl)phenyl]acetamide

CAS Number	1798331-92-6
PubChem CID	118129505
IUPAC Name	N-[4-(7-chloro-2H-1,4-benzoxazin-3-yl)phenyl]acetamide
Molecular Formula	C16H13ClN2O2
Molecular Weight	300.74
XLogP	2.9
Topological Polar Surface Area	50.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	419

SMILES

CC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)OC2

InChI

InChI=1S/C16H13ClN2O2/c1-10(20)18-13-5-2-11(3-6-13)15-9-21-16-8-12(17)4-7-14(16)19-15/h2-8H,9H2,1H3,(H,18,20)

InChIKey

PYCTUCLCTVWILY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1798331-92-6

CID: 118129505

Formula: C16H13ClN2O2

MW: 300.74

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	300.74
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	300.0665554
Monoisotopic Mass	300.0665554
Topological Polar Surface Area	50.7 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	419
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes