methyl 2-(2-aminoethyl)-5-bromobenzoate

methyl 2-(2-aminoethyl)-5-bromobenzoate

CAS: 1131587-84-2

Formula: C10H12BrNO2

SMILES: COC(=O)C1=C(CCN)C=CC(Br)=C1

IUPAC: methyl 2-(2-aminoethyl)-5-bromobenzoate

InChI: InChI=1S/C10H12BrNO2/c1-14-10(13)9-6-8(11)3-2-7(9)4-5-12/h2-3,6H,4-5,12H2,1H3

Composition: C (46.53%), H (4.69%), Br (30.96%), N (5.43%), O (12.40%)

Molar Mass: 258.115

Atom Count: 26

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	257.005142
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	AVJGDSYBQXZDGM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.93
Topological Polar Surface Area	52.32
Polarizability	22.7
Ring Count	1
Rotatable Bond Count	4

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95%	<5 Days	1131587-84-2		$1,399.00-$2,700.00$1,399.00$2,700.00