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methyl 4-(aminomethyl)benzoate hydrochloride

methyl 4-(aminomethyl)benzoate hydrochloride

CAS: 1582543

Formula: C9H12ClNO2

SMILES: Cl.COC(=O)C1=CC=C(CN)C=C1

IUPAC: methyl 4-(aminomethyl)benzoate hydrochloride

InChI: InChI=1S/C9H11NO2.ClH/c1-12-9(11)8-4-2-7(6-10)3-5-8;/h2-5H,6,10H2,1H3;1H

Composition: C (53.61%), H (6.00%), Cl (17.58%), N (6.95%), O (15.87%)

Molar Mass: 201.65

Atom Count: 25

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 201.0556563
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey GIZCKBSSWNIUMZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.56
Topological Polar Surface Area 52.32
Polarizability 18.11
Ring Count 1
Rotatable Bond Count 3

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OTAVA LTD.
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95% <2 Days 1582543 $51.35-$207.58$51.35$63.37$86.31$207.58
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95% <5 Days 1582543 $600.00$600.00
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