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Home > Bromides > 1247885-38-6
1247885-38-6 | Benzonitrile, 5-broMo-3-fluoro-2-Methoxy-
CAS No: 1247885-38-6 Catalog No: AG000MQR MDL No:
Product Description
Catalog Number:
AG000MQR
Chemical Name:
Benzonitrile, 5-broMo-3-fluoro-2-Methoxy-
CAS Number:
1247885-38-6
Molecular Formula:
C8H5BrFNO
Molecular Weight:
230.0338
IUPAC Name:
5-bromo-3-fluoro-2-methoxybenzonitrile
InChI:
InChI=1S/C8H5BrFNO/c1-12-8-5(4-11)2-6(9)3-7(8)10/h2-3H,1H3
InChI Key:
CVSNMRCIGNCTTE-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)cc(c1OC)F
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.954g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.036g/mol
Monoisotopic Mass:
228.954g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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