2-Fluorobenzylamine

CAT: 0127-PC7734-01Size: 1 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-PC7734-01Size:1 g

Selected

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

Quick Request Actions

CAS Number

89-99-6

Synonyms

(2-Fluorophenyl) methylamine

MDL Number

MFCD00008107

Purity

96%

Smiles

NCc1ccccc1F

Chemical Information

2-Fluorobenzylamine

CAS Number	89-99-6
PubChem CID	66649
IUPAC Name	(2-fluorophenyl)methanamine
Molecular Formula	C7H8FN
Molecular Weight	125.14
XLogP	1.1
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	85

SMILES

C1=CC=C(C(=C1)CN)F

InChI

InChI=1S/C7H8FN/c8-7-4-2-1-3-6(7)5-9/h1-4H,5,9H2

InChIKey

LRFWYBZWRQWZIM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 89-99-6

CID: 66649

Formula: C7H8FN

MW: 125.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	125.14
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	125.064077422
Monoisotopic Mass	125.064077422
Topological Polar Surface Area	26 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	85
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

Catalog	Name
PC408228-01	2-Bromo-6-fluorobenzylamine
PC9177-01	2-Chloro-5-fluorobenzylamine
PC901596-01	2-Benzyloxy-5-fluorobenzylamine
PC1864D-01	2-Chloro-6-fluorobenzylamine
PC302653-01	2- (Difluoromethoxy) -5-fluorobenzylamine
PC101716-01	2-Bromo-5-fluorobenzylamine
PC1864B-01	2-Chloro-4-fluorobenzylamine
PC3680-01	3-Fluorobenzylamine
PC3690-01	4-Fluorobenzylamine
PC302006-01	2,3-Dichloro-6-fluorobenzylamine