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N-[(2-fluorophenyl)methyl]-N-methylguanidine

N-[(2-fluorophenyl)methyl]-N-methylguanidine

CAS: 915919-83-4

Formula: C9H12FN3

SMILES: CN(CC1=C(F)C=CC=C1)C(N)=N

IUPAC: N-[(2-fluorophenyl)methyl]-N-methylguanidine

InChI: InChI=1S/C9H12FN3/c1-13(9(11)12)6-7-4-2-3-5-8(7)10/h2-5H,6H2,1H3,(H3,11,12)

Composition: C (59.65%), H (6.67%), F (10.48%), N (23.19%)

Molar Mass: 181.214

Atom Count: 25

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 181.101525561
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey JKCKUYIRDQWKDU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.76
Topological Polar Surface Area 53.11
Polarizability 18.52
Ring Count 1
Rotatable Bond Count 2

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