(1S,2S)-3-bromocyclohexa-3,5-diene-1,2-diol

(1S,2S)-3-bromocyclohexa-3,5-diene-1,2-diol

CAS: 130792-45-9

Formula: C6H7BrO2

SMILES: O[C@H]1C=CC=C(Br)[C@H]1O

IUPAC: (1S,2S)-3-bromocyclohexa-3,5-diene-1,2-diol

InChI: InChI=1S/C6H7BrO2/c7-4-2-1-3-5(8)6(4)9/h1-3,5-6,8-9H/t5-,6+/m0/s1

Composition: C (37.73%), H (3.69%), Br (41.83%), O (16.75%)

Molar Mass: 191.024

Atom Count: 16

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	189.962942
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	KLPGXZKAVBGFGF-NTSWFWBYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.1
Topological Polar Surface Area	40.46
Polarizability	14.7
Ring Count	1
Rotatable Bond Count	0

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