2-bromo-3-methylbenzaldehyde

CAT: 0926-JEA17931Size: 2.5 gDry Ice: NoHazardous: No

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CAT#:0926-JEA17931Size:2.5 g

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CAS Number

109179-31-9

MDL Number

MFCD18392002

Smiles

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

Molecular Formula

C8H7BrO

Molecular Weight

199 g/mol

Controlled

Chemical Information

2-Bromo-3-methylbenzaldehyde

CAS Number	109179-31-9
PubChem CID	13707076
IUPAC Name	2-bromo-3-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)C=O)Br

InChI

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

InChIKey

CYQUDJGXCABLPN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 109179-31-9

CID: 13707076

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
IDA64740	3-Bromo-2-methylbenzaldehyde
BHA50470-01	2-Bromo-6-methylbenzaldehyde
FB68056-01	4-Bromo-3-methylbenzaldehyde
FB34104-01	4-Bromo-2-methylbenzaldehyde
HAC66503	3-bromo-2-fluoro-5-methylbenzaldehyde
IBA17254	3-Bromo-2-hydroxy-5-methylbenzaldehyde
JWC89762-01	4-Bromo-2-fluoro-3-methylbenzaldehyde
HHC68162-01	5-Bromo-2- (difluoromethoxy) -3-methylbenzaldehyde
FWC03816-01	2-Bromo-3-methoxy-6-methylbenzaldehyde
IBA17256	5-bromo-2-hydroxy-3-methylbenzaldehyde