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3-bromophenylurea

3-bromophenylurea

CAS: 2989-98-2

Formula: C7H7BrN2O

SMILES: NC(=O)NC1=CC=CC(Br)=C1

IUPAC: (3-bromophenyl)urea

InChI: InChI=1S/C7H7BrN2O/c8-5-2-1-3-6(4-5)10-7(9)11/h1-4H,(H3,9,10,11)

Composition: C (39.10%), H (3.28%), Br (37.16%), N (13.03%), O (7.44%)

Molar Mass: 215.05

Atom Count: 18

Heavy Atom Count: 11

Properties
Properties
Common Names M-bromophenylurea
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 213.974176
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 2
InChIKey DHMRSMNEKFDABI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.22
Topological Polar Surface Area 55.12
Polarizability 17.4
Ring Count 1
Rotatable Bond Count 1

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97% <7 Days 2989-98-2 $93.50-$873.29$93.50$140.25$195.42$343.15$873.29
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98% <7 Days 2989-98-2 $28.98-$719.33$28.98$46.58$123.17$424.35$719.33
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97% <2 Days 2989-98-2 $51.35-$136.56$51.35$63.37$86.31$136.56
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95% <5 Days 2989-98-2 $59.27-$954.58$59.27$81.97$177.80$572.49$954.58
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90% <16 Days 2989-98-2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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