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148692-70-0 | Benzoic acid, 2,5-bis(bromomethyl)-
CAS No: 148692-70-0 Catalog No: AG001L4L MDL No:
Product Description
Catalog Number:
AG001L4L
Chemical Name:
Benzoic acid, 2,5-bis(bromomethyl)-
CAS Number:
148692-70-0
Molecular Formula:
C9H8Br2O2
Molecular Weight:
307.9666
IUPAC Name:
2,5-bis(bromomethyl)benzoic acid
InChI:
InChI=1S/C9H8Br2O2/c10-4-6-1-2-7(5-11)8(3-6)9(12)13/h1-3H,4-5H2,(H,12,13)
InChI Key:
RPCHGSCSAZJADQ-UHFFFAOYSA-N
SMILES:
BrCc1ccc(c(c1)C(=O)O)CBr
NSC Number:
165910
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.887g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.969g/mol
Monoisotopic Mass:
305.889g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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