AR 7

CAT: 0926-FDA30638-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-FDA30638-01Size:50 mg

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

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CAS Number

80306-38-3

MDL Number

MFCD27978377

Smiles

CC1=CC=C (C=C1) C2=NC3=C (C=C (C=C3) Cl) OC2

Molecular Formula

C15H12ClNO

Molecular Weight

257.71 g/mol

Controlled

Chemical Information

7-Chloro-3-(p-tolyl)-2H-benzo[b][1,4]oxazine

CAS Number	80306-38-3
PubChem CID	44250175
IUPAC Name	7-chloro-3-(4-methylphenyl)-2H-1,4-benzoxazine
Molecular Formula	C15H12ClNO
Molecular Weight	257.71
XLogP	4.1
Topological Polar Surface Area	21.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	18
Formal Charge	0
Complexity	322

SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)OC2

InChI

InChI=1S/C15H12ClNO/c1-10-2-4-11(5-3-10)14-9-18-15-8-12(16)6-7-13(15)17-14/h2-8H,9H2,1H3

InChIKey

MVOZLTFXYGHZPM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 80306-38-3

CID: 44250175

Formula: C15H12ClNO

MW: 257.71

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	257.71
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	257.0607417
Monoisotopic Mass	257.0607417
Topological Polar Surface Area	21.6 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	322
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

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