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1163123-39-4 | Benzoxazole, 2-chloro-4-fluoro-
CAS No: 1163123-39-4 Catalog No: AG000C5V MDL No:MFCD16250626
Product Description
Catalog Number:
AG000C5V
Chemical Name:
Benzoxazole, 2-chloro-4-fluoro-
CAS Number:
1163123-39-4
Molecular Formula:
C7H3ClFNO
Molecular Weight:
171.5562
MDL Number:
MFCD16250626
IUPAC Name:
2-chloro-4-fluoro-1,3-benzoxazole
InChI:
InChI=1S/C7H3ClFNO/c8-7-10-6-4(9)2-1-3-5(6)11-7/h1-3H
InChI Key:
CBASZTHGTVVIGC-UHFFFAOYSA-N
SMILES:
Clc1oc2c(n1)c(F)ccc2
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.989g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.555g/mol
Monoisotopic Mass:
170.989g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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