Cas no 113172-87-5 (2-bromo-1-(bromomethyl)-3-methoxybenzene)
113172-87-5 structure
Product Name:2-bromo-1-(bromomethyl)-3-methoxybenzene
CAS No:113172-87-5
MF:C8H8Br2O
MW:279.956521034241
CID:2610138
PubChem ID:14565354
Update Time:2025-04-21
2-bromo-1-(bromomethyl)-3-methoxybenzene Chemical and Physical Properties
Names and Identifiers
-
- 2-bromo-1-(bromomethyl)-3-methoxybenzene
- 2-Bromo-3-methoxybenzyl bromide
- EN300-1895436
- DB-163864
- 128828-86-4
- IPTDXRBBORUXGS-UHFFFAOYSA-N
- 816-283-6
- AKOS028114928
- MFCD18390184
- PS-10007
- DFA82886
- G54897
- SCHEMBL9211153
- 2-Bromo-3-methoxybenzylbromide
- 113172-87-5
- DTXSID10561697
-
- Inchi： 1S/C8H8Br2O/c1-11-7-4-2-3-6(5-9)8(7)10/h2-4H,5H2,1H3
- InChI Key： IPTDXRBBORUXGS-UHFFFAOYSA-N
- SMILES： BrC1C(=CC=CC=1CBr)OC
Computed Properties
- Exact Mass: 279.89214Da
- Monoisotopic Mass: 277.89419Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 119
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 9.2?2
2-bromo-1-(bromomethyl)-3-methoxybenzene Related Literature
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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