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4-{[(furan-2-ylmethyl)amino]methyl}benzoic acid hydrochloride

4-{[(furan-2-ylmethyl)amino]methyl}benzoic acid hydrochloride

CAS: 881452-94-4

Formula: C13H14ClNO3

SMILES: Cl.OC(=O)C1=CC=C(CNCC2=CC=CO2)C=C1

IUPAC: 4-({[(furan-2-yl)methyl]amino}methyl)benzoic acid hydrochloride

InChI: InChI=1S/C13H13NO3.ClH/c15-13(16)11-5-3-10(4-6-11)8-14-9-12-2-1-7-17-12;/h1-7,14H,8-9H2,(H,15,16);1H

Composition: C (58.33%), H (5.27%), Cl (13.24%), N (5.23%), O (17.93%)

Molar Mass: 267.71

Atom Count: 32

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 267.066221
Formal Charge 0
FSP3 0.15
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey SYXGZGAYQYQRSU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.57
Topological Polar Surface Area 62.47
Polarizability 24.32
Ring Count 2
Rotatable Bond Count 5

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