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2-bromo-4-methylphenylurea

2-bromo-4-methylphenylurea

CAS: 1016706-21-0

Formula: C8H9BrN2O

SMILES: CC1=CC(Br)=C(NC(N)=O)C=C1

IUPAC: (2-bromo-4-methylphenyl)urea

InChI: InChI=1S/C8H9BrN2O/c1-5-2-3-7(6(9)4-5)11-8(10)12/h2-4H,1H3,(H3,10,11,12)

Composition: C (41.95%), H (3.96%), Br (34.88%), N (12.23%), O (6.98%)

Molar Mass: 229.077

Atom Count: 21

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 227.989826
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 2
InChIKey ZINLYDLRNMYDCZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.26
Topological Polar Surface Area 55.12
Polarizability 19.14
Ring Count 1
Rotatable Bond Count 1

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