(3-Chlorophenyl) (3-fluorophenyl) methanamine

CAT: 0926-JXB51740-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-JXB51740-01Size:50 mg

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CAS Number

1184517-40-5

MDL Number

MFCD12153893

Smiles

C1=CC (=CC (=C1) F) C (C2=CC (=CC=C2) Cl) N

Molecular Formula

C13H11ClFN

Molecular Weight

235.68 g/mol

Controlled

Chemical Information

(3-Chlorophenyl)(3-fluorophenyl)methanamine

CAS Number	1184517-40-5
PubChem CID	60818087
IUPAC Name	(3-chlorophenyl)-(3-fluorophenyl)methanamine
Molecular Formula	C13H11ClFN
Molecular Weight	235.68
XLogP	3.2
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	224

SMILES

C1=CC(=CC(=C1)F)C(C2=CC(=CC=C2)Cl)N

InChI

InChI=1S/C13H11ClFN/c14-11-5-1-3-9(7-11)13(16)10-4-2-6-12(15)8-10/h1-8,13H,16H2

InChIKey

LBGOIFJSMYTKBT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1184517-40-5

CID: 60818087

Formula: C13H11ClFN

MW: 235.68

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	235.68
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	235.0564052
Monoisotopic Mass	235.0564052
Topological Polar Surface Area	26 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	224
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RQB72928-01	(4-Chlorophenyl) (3-fluorophenyl) methanamine
AZB57791-01	(3-Chlorophenyl) (2-fluorophenyl) methanamine
RQB50675-01	(3-Chlorophenyl) (4-fluorophenyl) methanamine
RQB74807-01	(4-Chlorophenyl) (2-fluorophenyl) methanamine
RQB50827-01	(4-Chlorophenyl) (4-fluorophenyl) methanamine
LLA94780-01	(2-Chlorophenyl) (3-chlorophenyl) methanamine
BDB21244-01	(3-Chlorophenyl) (4-chlorophenyl) methanamine
EGA23341-01	(2-Chlorophenyl) (4-fluorophenyl) methanamine hydrochloride
DXB95891-01	[4- (4-Chlorophenyl) -2-fluorophenyl]methanamine
BAA85539-01	(3-Chlorophenyl) (cyclopentyl) methanamine

Catalog	Name
RG-A263335-01	(3-Chlorophenyl) Methanamine
RG-F122123-01	(3-Fluorophenyl) Methanamine
JH916065	(3-Chlorophenyl) (phenyl) methanamine
PC101421-01	(3-Fluorophenyl) (phenyl) methanamine
sc-342586	(2-chlorophenyl) (4-fluorophenyl) methanamine hydrochloride
OR1066967-01	(4-Bromo-3-chlorophenyl) methanamine
OR525652	(3-Bromo-5-chlorophenyl) methanamine
sc-346777A	(3-chlorophenyl) (phenyl) methanamine hydrochloride
OR1070757-01	(1- (3-Chlorophenyl) cyclopentyl) methanamine
PC99816-01	(4-Bromo-3-fluorophenyl) methanamine