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165187-23-5 | Benzonitrile, 2-chloro-3-(dibromomethyl)-
CAS No: 165187-23-5 Catalog No: AG001VZF MDL No:MFCD13190563
Product Description
Catalog Number:
AG001VZF
Chemical Name:
Benzonitrile, 2-chloro-3-(dibromomethyl)-
CAS Number:
165187-23-5
Molecular Formula:
C8H4Br2ClN
Molecular Weight:
309.3851
MDL Number:
MFCD13190563
IUPAC Name:
2-chloro-3-(dibromomethyl)benzonitrile
InChI:
InChI=1S/C8H4Br2ClN/c9-8(10)6-3-1-2-5(4-12)7(6)11/h1-3,8H
InChI Key:
KZIUQKCRAYTVFZ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1Cl)C(Br)Br
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.838g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.385g/mol
Monoisotopic Mass:
306.84g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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