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4-Chlorophenylurea

CAT: 0931-T20454-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-T20454-01Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
140-38-5
Target
Others, Factor Xa
Related Pathways
Others, Metabolism
Purity
0.9887
Bioactivity
4-Chlorophenylurea (NSC-12971) is a novel orally bioavailable inhibitor of factor Xa.
Smiles
NC(=O)NC1=CC=C(Cl)C=C1
Molecular Formula
C7H7ClN2O
Molecular Weight
170.6
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-Chlorophenylurea
CAS Number140-38-5
PubChem CID8796
IUPAC Name(4-chlorophenyl)urea
Molecular FormulaC7H7ClN2O
Molecular Weight170.59
XLogP1.8
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity143
SMILES
C1=CC(=CC=C1NC(=O)N)Cl
InChI
InChI=1S/C7H7ClN2O/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)
InChIKey
RECCURWJDVZHIH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chlorophenylurea
CAS: 140-38-5
CID: 8796
Formula: C7H7ClN2O
MW: 170.59
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight170.59
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass170.0246905
Monoisotopic Mass170.0246905
Topological Polar Surface Area55.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity143
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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