4-Bromo-2-methylbenzaldehyde

CAT: 0926-FB34104-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-FB34104-01Size:100 mg

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CAS Number

24078-12-4

MDL Number

MFCD07787171

Smiles

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

Molecular Formula

C8H7OBr

Molecular Weight

199.04 g/mol

Controlled

Chemical Information

4-Bromo-2-methylbenzaldehyde

CAS Number	24078-12-4
PubChem CID	13555150
IUPAC Name	4-bromo-2-methylbenzaldehyde
Molecular Formula	C8H7BrO
Molecular Weight	199.04
XLogP	2.4
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	124

SMILES

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

InChI

InChI=1S/C8H7BrO/c1-6-4-8(9)3-2-7(6)5-10/h2-5H,1H3

InChIKey

RCBPVESMGNZMSG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 24078-12-4

CID: 13555150

Formula: C8H7BrO

MW: 199.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	199.04
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	197.96803
Monoisotopic Mass	197.96803
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	124
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
FB68056-01	4-Bromo-3-methylbenzaldehyde
JWC89762-01	4-Bromo-2-fluoro-3-methylbenzaldehyde
VEC02554	2-bromo-6-fluoro-4-methylbenzaldehyde
IFC85538-01	2-Bromo-5-chloro-4-methylbenzaldehyde
YLB28167-01	5-Bromo-2-methoxy-4-methylbenzaldehyde
BHA50470-01	2-Bromo-6-methylbenzaldehyde
JEA17931	2-bromo-3-methylbenzaldehyde
IDA64740	3-Bromo-2-methylbenzaldehyde
DFC86538-01	5-Bromo-2,4-difluoro-3-methylbenzaldehyde
IBA17254	3-Bromo-2-hydroxy-5-methylbenzaldehyde

Catalog	Name
sc-254169	2-Bromo-4-methylbenzaldehyde
OR60101-01	4-Bromo-2-methylbenzaldehyde
424342-01	3-Bromo-4-methylbenzaldehyde
TRC-B695405-1G	4-Bromo-3-methylbenzaldehyde
PC1025754	4-Bromo-3-fluoro-2-methylbenzaldehyde
PC1023155	2-Bromo-4-fluoro-5-methylbenzaldehyde
PC1023102-01	5-Bromo-4-fluoro-2-methylbenzaldehyde
OR1099620	5-Bromo-2-hydroxy-4-methylbenzaldehyde
OR1085633-01	2-bromo-3-hydroxy-4-methylbenzaldehyde
OR1081753-01	4-Bromo-3-methoxy-2-methylbenzaldehyde