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122323-08-4 | 2H-1-Benzopyran, 3-bromo-6-chloro-
CAS No: 122323-08-4 Catalog No: AG00173T MDL No:
Product Description
Catalog Number:
AG00173T
Chemical Name:
2H-1-Benzopyran, 3-bromo-6-chloro-
CAS Number:
122323-08-4
Molecular Formula:
C9H6BrClO
Molecular Weight:
245.5003
IUPAC Name:
3-bromo-6-chloro-2H-chromene
InChI:
InChI=1S/C9H6BrClO/c10-7-3-6-4-8(11)1-2-9(6)12-5-7/h1-4H,5H2
InChI Key:
VPKMUPXHRCLRHM-UHFFFAOYSA-N
SMILES:
Clc1cc2C=C(Br)COc2cc1
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.929g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.5g/mol
Monoisotopic Mass:
243.929g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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