2-bromo-5-methoxycyclohexa-2,5-diene-1,4-dione

2-bromo-5-methoxycyclohexa-2,5-diene-1,4-dione

CAS: 23030-65-1

Formula: C7H5BrO3

SMILES: COC1=CC(=O)C(Br)=CC1=O

IUPAC: 2-bromo-5-methoxycyclohexa-2,5-diene-1,4-dione

InChI: InChI=1S/C7H5BrO3/c1-11-7-3-5(9)4(8)2-6(7)10/h2-3H,1H3

Composition: C (38.74%), H (2.32%), Br (36.82%), O (22.12%)

Molar Mass: 217.018

Atom Count: 16

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	215.942207
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	YNEPNZYQQQVSNM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.36
Topological Polar Surface Area	43.37
Polarizability	16.24
Ring Count	1
Rotatable Bond Count	1

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