3,6-dibromo-2-methylbenzaldehyde

3,6-dibromo-2-methylbenzaldehyde

CAS: 269394-29-8

Formula: C8H6Br2O

SMILES: CC1=C(Br)C=CC(Br)=C1C=O

IUPAC: 3,6-dibromo-2-methylbenzaldehyde

InChI: InChI=1S/C8H6Br2O/c1-5-6(4-11)8(10)3-2-7(5)9/h2-4H,1H3

Composition: C (34.57%), H (2.18%), Br (57.50%), O (5.76%)

Molar Mass: 277.943

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	275.878541
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	RKILKWQVFGKYHP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.93
Topological Polar Surface Area	17.07
Polarizability	19.87
Ring Count	1
Rotatable Bond Count	1

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