Lofendazam

CAT: 0127-BUP12398-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP12398-02Size:10 mg

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

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CAS Number

29176-29-2

Synonyms

Bu 1014

Purity

=98%

Smiles

O=C1N(C=2C(NCC1)=CC=C(Cl)C2)C3=CC=CC=C3

Chemical Information

8-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one

structure

CAS Number	29176-29-2
PubChem CID	71709
IUPAC Name	7-chloro-5-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
Molecular Formula	C15H13ClN2O
Molecular Weight	272.73
XLogP	2.5
Topological Polar Surface Area	32.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	19
Formal Charge	0
Complexity	330

SMILES

C1CNC2=C(C=C(C=C2)Cl)N(C1=O)C3=CC=CC=C3

InChI

InChI=1S/C15H13ClN2O/c16-11-6-7-13-14(10-11)18(15(19)8-9-17-13)12-4-2-1-3-5-12/h1-7,10,17H,8-9H2

InChIKey

IUJQOUHDFKALCY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 29176-29-2

CID: 71709

Formula: C15H13ClN2O

MW: 272.73

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	272.73
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	272.0716407
Monoisotopic Mass	272.0716407
Topological Polar Surface Area	32.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	330
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