Chlormebuform

CAT: 0926-MBA40777-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-MBA40777-02Size:10 mg

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CAS Number

37407-77-5

Smiles

CCCCN (C) C=NC1=C (C=C (C=C1) Cl) C

Molecular Formula

C13H19ClN2

Molecular Weight

238.75 g/mol

Controlled

Chemical Information

Chloromebuform

Chloromebuform is a member of monochlorobenzenes.

CAS Number	37407-77-5
PubChem CID	12657825
IUPAC Name	N-butyl-N'-(4-chloro-2-methylphenyl)-N-methylmethanimidamide
Molecular Formula	C13H19ClN2
Molecular Weight	238.75
XLogP	4.1
Topological Polar Surface Area	15.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Heavy Atom Count	16
Formal Charge	0
Complexity	218

SMILES

CCCCN(C)C=NC1=C(C=C(C=C1)Cl)C

InChI

InChI=1S/C13H19ClN2/c1-4-5-8-16(3)10-15-13-7-6-12(14)9-11(13)2/h6-7,9-10H,4-5,8H2,1-3H3

InChIKey

OUDYXRYNDPEKLK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 37407-77-5

CID: 12657825

Formula: C13H19ClN2

MW: 238.75

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	238.75
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	238.1236763
Monoisotopic Mass	238.1236763
Topological Polar Surface Area	15.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	218
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