3-bromo-2-methylbenzaldehyde

3-bromo-2-methylbenzaldehyde

CAS: 83647-40-9

Formula: C8H7BrO

SMILES: CC1=C(C=O)C=CC=C1Br

IUPAC: 3-bromo-2-methylbenzaldehyde

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

Composition: C (48.27%), H (3.54%), Br (40.14%), O (8.04%)

Molar Mass: 199.047

Atom Count: 17

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	197.968028
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	HHVUFPUWPWOWOA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.31
Topological Polar Surface Area	17.07
Polarizability	16.79
Ring Count	1
Rotatable Bond Count	1

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