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1-[2-(chloromethyl)-3-methylphenyl]-3-methylurea

1-[2-(chloromethyl)-3-methylphenyl]-3-methylurea

CAS: 117550-53-5

Formula: C10H13ClN2O

SMILES: CNC(=O)NC1=CC=CC(C)=C1CCl

IUPAC: 1-[2-(chloromethyl)-3-methylphenyl]-3-methylurea

InChI: InChI=1S/C10H13ClN2O/c1-7-4-3-5-9(8(7)6-11)13-10(14)12-2/h3-5H,6H2,1-2H3,(H2,12,13,14)

Composition: C (56.48%), H (6.16%), Cl (16.67%), N (13.17%), O (7.52%)

Molar Mass: 212.68

Atom Count: 27

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 212.0716407
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 2
InChIKey LHEYNQAIGZNZLC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.4
Topological Polar Surface Area 41.13
Polarizability 21.78
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 117550-53-5 $457.70-$802.70$457.70$802.70
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