methyl (1r,4r)-4-(bromomethyl)cyclohexane-1-carboxylate

methyl (1r,4r)-4-(bromomethyl)cyclohexane-1-carboxylate

CAS: 167833-10-5

Formula: C9H15BrO2

SMILES: COC(=O)[C@H]1CC[C@H](CBr)CC1

IUPAC: methyl (1r,4r)-4-(bromomethyl)cyclohexane-1-carboxylate

InChI: InChI=1/C9H15BrO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h7-8H,2-6H2,1H3/t7-,8-

Composition: C (45.98%), H (6.43%), Br (33.98%), O (13.61%)

Molar Mass: 235.121

Atom Count: 27

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	234.025543
Formal Charge	0
FSP3	0.89
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	BXJXDCCSZTVLTR-ZKCHVHJHNA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.05
Topological Polar Surface Area	26.3
Polarizability	20.13
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	167833-10-5		$102.14-$250.94$102.14$250.94