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6640-25-1 | (4-Chlorophenyl);(cyclopropyl);methanone
CAS No: 6640-25-1 Catalog No: AG003L7V MDL No:MFCD00001295
Product Description
Catalog Number:
AG003L7V
Chemical Name:
(4-Chlorophenyl);(cyclopropyl);methanone
CAS Number:
6640-25-1
Molecular Formula:
C10H9ClO
Molecular Weight:
180.6309
MDL Number:
MFCD00001295
IUPAC Name:
(4-chlorophenyl)-cyclopropylmethanone
InChI:
InChI=1S/C10H9ClO/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7H,1-2H2
InChI Key:
OPSFCTBBDIDFJM-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)Cl)C1CC1
EC Number:
229-655-2
NSC Number:
49315
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.034g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.631g/mol
Monoisotopic Mass:
180.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Global antifungal profile optimization of chlorophenyl derivatives against Botrytis cinerea and Colletotrichum gloeosporioides. | Journal of agricultural and food chemistry 20090610 |
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