AG0004F6

101417-40-7 | 1,3-Benzodioxole, 4-(bromomethyl)-

AG0004F6

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CAS Number	101417-40-7
Catalog Number	AG0004F6(AGN-PC-03QBYL)
Chemical Name	1,3-Benzodioxole, 4-(bromomethyl)-
IUPAC Name	4-(bromomethyl)-1,3-benzodioxole
InChI	InChI=1S/C8H7BrO2/c9-4-6-2-1-3-7-8(6)11-5-10-7/h1-3H,4-5H2
InChI Key	NXSORIZRMNGQNL-UHFFFAOYSA-N
MDL Number	MFCD21604251
Molecular Formula	C8H7BrO2
Molecular Weight	215.0440
SMILES	C(Br)c1c2c(OCO2)ccc1
Synonyms	4-(Bromomethyl)benzo[d][1,3]dioxole, 101417-40-7, 4-(bromomethyl)-1,3-Benzodioxole, AK-76075, SCHEMBL2168952, CTK8C3843, DTXSID10626331, NXSORIZRMNGQNL-UHFFFAOYSA-N, 2,3-(methylenedioxy)benzyl bromide, BCP25757, ANW-70654, MFCD21604251, ZINC82046495, 1,3-Benzodioxole, 4-(bromomethyl)-, AKOS016001377, 4-(Bromomethyl)-2H-1,3-benzodioxole, CS-W022008, FCH1615872, MP-1677, 4-(Bromomethyl);benzo[d][1,3]dioxole, CJ-22022, DA-18921, DS-16569, AB0052085, AJ-124190, AX8220688, TC-159399, 4CH-011079, FT-0736891, ST24023198, Z3805, C8H7BrO2,

Complexity	140
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	213.963g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	215.046g/mol
Monoisotopic Mass	213.963g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	18.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number