5-Bromo-2-methylbenzamide

CAT: 0127-OR1038866-01Size: 250 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1038866-01Size:250 mg

Selected

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

Quick Request Actions

CAS Number

854633-21-9

MDL Number

MFCD09999464

Purity

95%

Smiles

CC1=CC=C(C=C1C(=O)N)Br

Chemical Information

5-Bromo-2-methylbenzamide

CAS Number	854633-21-9
PubChem CID	20616770
IUPAC Name	5-bromo-2-methylbenzamide
Molecular Formula	C8H8BrNO
Molecular Weight	214.06
XLogP	1.9
Topological Polar Surface Area	43.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	160

SMILES

CC1=C(C=C(C=C1)Br)C(=O)N

InChI

InChI=1S/C8H8BrNO/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H2,10,11)

InChIKey

IENXGTOPRPDOAE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 854633-21-9

CID: 20616770

Formula: C8H8BrNO

MW: 214.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	214.06
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	212.97893
Monoisotopic Mass	212.97893
Topological Polar Surface Area	43.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	160
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
OR1002977-01	2-Bromo-5-methylbenzamide
OR1079906	3-bromo-5-methylbenzamide
PC100178-01	5-Bromo-2-fluoro-n-methylbenzamide
PC1011588-01	5-bromo-2-fluoro-3-methylbenzamide
PC1024167-01	5-bromo-2-fluoro-4-methylbenzamide
OR1087061-01	4-Bromo-5-chloro-2-methylbenzamide
PC1024322-01	5-bromo-4-fluoro-2-methylbenzamide
PC1023759-01	3-bromo-2-fluoro-5-methylbenzamide
OR1085318-01	2-Bromo-5-iodo-N-methylbenzamide
OR93987-01	2-Amino-5-bromo-N-methylbenzamide

Catalog	Name
EJB63321-01	5-bromo-2-methylbenzamide
424500-01	3-Bromo-5-methylbenzamide
RQB77786	5-Bromo-2-fluoro-N-methylbenzamide
FKC23887-01	3-Bromo-2-fluoro-5-methylbenzamide
sc-256087	2-Bromo-5-fluoro-N-methylbenzamide
HAC99685-01	2-Amino-5-bromo-N-methylbenzamide
sc-336823	5-bromo-2-methoxy-3-methylbenzamide
sc-259696A	2-Bromo-N-methylbenzamide
EFC31830-01	2-Amino-5-bromo-4-chloro-N-methylbenzamide
AFC06914-01	3-Amino-5-bromo-N-methylbenzamide